SMIRKS
[C:1]([C@:2]1([H:80])[O:3][C@:4]([O:5][C:6]([C@@:7]2([H:81])[O:8][C@:9]([O:10][C:11]3:[C:12]([C:13]4:[C:14]([H:82]):[C:15]([H:83]):[C:16]([O:17][H:84]):[C:18]([O:19][H:85]):[C:20]:4[H:86]):[O:21]:[C:22]4:[C:23]([H:87]):[C:24]([O:25][H:88]):[C:26]([H:89]):[C:27]([O:28][H:90]):[C:29]:4:[C:30]:3=[O:31])([H:91])[C@@:32]([O:33][H:92])([H:93])[C@:34]([O:35][C:36]3([H:94])[O:37][C@@:38]([C:39]([O:40][H:95])([H:96])[H:97])([H:98])[C@:41]([O:42][H:99])([H:100])[C@@:43]([O:44][H:101])([H:102])[C@:45]3([O:46][H:103])[H:104])([H:105])[C@@:47]2([O:48][H:106])[H:107])([H:108])[H:109])([H:110])[C@@:49]([O:50][H:111])([H:112])[C@@:51]([O:52][H:113])([H:114])[C@:53]1([O:54][H:115])[H:116])([H:117])([H:118])[H:119]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:36]1([H:94])[O:37][C@@:38]([C:39]([O:40][H:95])([H:96])[H:97])([H:98])[C@:41]([O:42][H:99])([H:100])[C@@:43]([O:44][H:101])([H:102])[C@:45]1([O:46][H:103])[H:104].[H][O:35][C@:34]1([H:105])[C@:32]([O:33][H:92])([H:93])[C@@:9]([O:10][C:11]2:[C:12]([C:13]3:[C:14]([H:82]):[C:15]([H:83]):[C:16]([O:17][H:84]):[C:18]([O:19][H:85]):[C:20]:3[H:86]):[O:21]:[C:22]3:[C:23]([H:87]):[C:24]([O:25][H:88]):[C:26]([H:89]):[C:27]([O:28][H:90]):[C:29]:3:[C:30]:2=[O:31])([H:91])[O:8][C@@:7]([C:6]([O:5][C@:4]2([H:110])[O:3][C@:2]([C:1]([H:117])([H:118])[H:119])([H:80])[C@@:53]([O:54][H:115])([H:116])[C@:51]([O:52][H:113])([H:114])[C@:49]2([O:50][H:111])[H:112])([H:108])[H:109])([H:81])[C@:47]1([O:48][H:106])[H:107]
Derived Operators
EVODEX.1-F397 - Elemental Balance
| P | 2 |
| O | 12 |
| C | 9 |
| N | 2 |
| H | 14 |
EVODEX.1-M393 - Mass Difference
404.00222
EVODEX.1-E1202 - Reaction Operator E
[#8:35](-[#6@:34])-[#6:36](-[H:94])(-[#8:37])-[#6@:45]>>[#8](-[#6@@:36](-[H:94])(-[#8:37])-[#6@:45])-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H].[#8:35](-[#6@:34])-[H]
EVODEX.1-C1267 - Reaction Operator C
([#8:35]-[#6:36].[#6@:9]-[#6@@:32].[#6@@:47].[#6@@:49]-[#6@@:51]-[#6@:53])>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:36].([H]-[#8:35].[#6@:32]-[#6@@:9].[#6@@:53]-[#6@:51]-[#6@:49].[#6@:47])
EVODEX.1-N1580 - Reaction Operator N
([#8:8]1-[#6@@:7]-[#6@:47](-[#6@:34](-[#6@:32](-[#6@@:9]-1(-[#8:10])-[H:91])(-[#8:33])-[H:93])-[#8:35]-[#6:36](-[H:94])(-[#8:37])-[#6@:45])(-[#8:48])-[H:107].[#8:50]-[#6@:49](-[#6@:4])(-[H:112])-[#6@@:51](-[#8:52])(-[H:114])-[#6@:53](-[#6@:2])(-[#8:54])-[H:116])>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:36](-[H:94])(-[#8:37])-[#6@:45].([H]-[#8:35]-[#6@@:34]1-[#6@:32](-[#8:33])(-[H:93])-[#6@@:9](-[#8:10])(-[H:91])-[#8:8]-[#6@@:7]-[#6@:47]-1(-[#8:48])-[H:107].[#8:54]-[#6@:53](-[#6@:2])(-[H:116])-[#6@:51](-[#8:52])(-[H:114])-[#6@:49](-[#6@:4])(-[#8:50])-[H:112])
EVODEX.1-Em61 - Reaction Operator Em
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
EVODEX.1-Nm73 - Reaction Operator Nm
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
Source Full Reactions
EVODEX.1-R3248
[C:1]([C@:2]1([H:80])[O:3][C@:4]([O:5][C:6]([C@@:7]2([H:81])[O:8][C@:9]([O:10][C:11]3:[C:12]([C:13]4:[C:14]([H:82]):[C:15]([H:83]):[C:16]([O:17][H:84]):[C:18]([O:19][H:85]):[C:20]:4[H:86]):[O:21]:[C:22]4:[C:23]([H:87]):[C:24]([O:25][H:88]):[C:26]([H:89]):[C:27]([O:28][H:90]):[C:29]:4:[C:30]:3=[O:31])([H:91])[C@@:32]([O:33][H:92])([H:93])[C@:34]([O:35][C:36]3([H:94])[O:37][C@@:38]([C:39]([O:40][H:95])([H:96])[H:97])([H:98])[C@:41]([O:42][H:99])([H:100])[C@@:43]([O:44][H:101])([H:102])[C@:45]3([O:46][H:103])[H:104])([H:105])[C@@:47]2([O:48][H:106])[H:107])([H:108])[H:109])([H:110])[C@@:49]([O:50][H:111])([H:112])[C@@:51]([O:52][H:113])([H:114])[C@:53]1([O:54][H:115])[H:116])([H:117])([H:118])[H:119].[H][O:71][P:69]([O:68][P:65]([O:64][C:63]([C@@:62]1([H:128])[O:61][C@:60]([N:59]2:[C:58]([H:121]):[C:57]([H:120]):[C:56](=[O:55]):[N:79]([H:133]):[C:77]:2=[O:78])([H:122])[C@@:75]([O:76][H:131])([H:132])[C@@:73]1([O:74][H:129])[H:130])([H:126])[H:127])(=[O:66])[O:67][H:123])(=[O:70])[O:72][H:125]>>[C@:36]1([O:71][P:69]([O:68][P:65]([O:64][C:63]([C@@:62]2([H:128])[O:61][C@:60]([N:59]3:[C:58]([H:121]):[C:57]([H:120]):[C:56](=[O:55]):[N:79]([H:133]):[C:77]:3=[O:78])([H:122])[C@@:75]([O:76][H:131])([H:132])[C@@:73]2([O:74][H:129])[H:130])([H:126])[H:127])(=[O:66])[O:67][H:123])(=[O:70])[O:72][H:125])([H:94])[O:37][C@@:38]([C:39]([O:40][H:95])([H:96])[H:97])([H:98])[C@:41]([O:42][H:99])([H:100])[C@@:43]([O:44][H:101])([H:102])[C@:45]1([O:46][H:103])[H:104].[H][O:35][C@:34]1([H:105])[C@:32]([O:33][H:92])([H:93])[C@@:9]([O:10][C:11]2:[C:12]([C:13]3:[C:14]([H:82]):[C:15]([H:83]):[C:16]([O:17][H:84]):[C:18]([O:19][H:85]):[C:20]:3[H:86]):[O:21]:[C:22]3:[C:23]([H:87]):[C:24]([O:25][H:88]):[C:26]([H:89]):[C:27]([O:28][H:90]):[C:29]:3:[C:30]:2=[O:31])([H:91])[O:8][C@@:7]([C:6]([O:5][C@:4]2([H:110])[O:3][C@:2]([C:1]([H:117])([H:118])[H:119])([H:80])[C@@:53]([O:54][H:115])([H:116])[C@:51]([O:52][H:113])([H:114])[C@:49]2([O:50][H:111])[H:112])([H:108])[H:109])([H:81])[C@:47]1([O:48][H:106])[H:107]