SMIRKS
[H]O[C:42]([C@:40]([O:39][C@:38]1([H:107])[C@:5]([N:4]([C:2]([C:1]([H:109])([H:110])[H:111])=[O:3])[H:108])([H:81])[C@:6]([O:7][P:8](=[O:9])([O:10][H:82])[O:11][P:12](=[O:13])([O:14][H:83])[O:15][C:16]([C@@:17]2([H:84])[O:18][C@:19]([N:20]3:[C:21]([H:85]):[C:22]([H:86]):[C:23](=[O:24]):[N:25]([H:87]):[C:26]:3=[O:27])([H:88])[C@@:28]([O:29][H:89])([H:90])[C@@:30]2([O:31][H:91])[H:92])([H:93])[H:94])([H:95])[O:32][C@@:33]([C:34]([O:35][H:96])([H:97])[H:98])([H:99])[C@:36]1([O:37][H:100])[H:101])([C:41]([H:102])([H:103])[H:104])[H:106])=[O:43].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:72][P:73](=[O:74])([O:75][H:122])[O:76][H:123]>>[H]OC(=O)C([H])([H])N([H])[C:42]([C@:40]([O:39][C@:38]1([H:107])[C@:5]([N:4]([C:2]([C:1]([H:109])([H:110])[H:111])=[O:3])[H:108])([H:81])[C@:6]([O:7][P:8](=[O:9])([O:10][H:82])[O:11][P:12](=[O:13])([O:14][H:83])[O:15][C:16]([C@@:17]2([H:84])[O:18][C@:19]([N:20]3:[C:21]([H:85]):[C:22]([H:86]):[C:23](=[O:24]):[N:25]([H:87]):[C:26]:3=[O:27])([H:88])[C@@:28]([O:29][H:89])([H:90])[C@@:30]2([O:31][H:91])[H:92])([H:93])[H:94])([H:95])[O:32][C@@:33]([C:34]([O:35][H:96])([H:97])[H:98])([H:99])[C@:36]1([O:37][H:100])[H:101])([C:41]([H:102])([H:103])[H:104])[H:106])=[O:43].[H][O:72][P:73](=[O:74])([O:75][H:122])[O:76][H:123]
Derived Operators
EVODEX.1-F456 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -8 |
| N | -4 |
| H | -10 |
EVODEX.1-M439 - Mass Difference
-351.9975
EVODEX.1-E1265 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:72]-[#15:73])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H].[#8:72](-[#15:73])-[H]
EVODEX.1-C817 - Reaction Operator C
[H]-[#8]-[#6:42].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:72]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42].[H]-[#8:72]
EVODEX.1-N1028 - Reaction Operator N
[H]-[#8]-[#6:42](-[#6@:40])=[#8:43].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:72]-[#15:73]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:42](-[#6@:40])=[#8:43].[H]-[#8:72]-[#15:73]
EVODEX.1-Em23 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
EVODEX.1-Nm23 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[#8]-[#15](=[#8])(-[#8])-[#8:75]-[#15:76]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43].[H]-[#8:75]-[#15:76]
Source Full Reactions
EVODEX.1-R7895
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:81])[C@:6]([O:7][P:8](=[O:9])([O:10][H:82])[O:11][P:12](=[O:13])([O:14][H:83])[O:15][C:16]([C@@:17]2([H:84])[O:18][C@:19]([N:20]3:[C:21]([H:85]):[C:22]([H:86]):[C:23](=[O:24]):[N:25]([H:87]):[C:26]:3=[O:27])([H:88])[C@@:28]([O:29][H:89])([H:90])[C@@:30]2([O:31][H:91])[H:92])([H:93])[H:94])([H:95])[O:32][C@@:33]([C:34]([O:35][H:96])([H:97])[H:98])([H:99])[C@:36]([O:37][H:100])([H:101])[C@@:38]1([O:39][C@:40]([C:41]([H:102])([H:103])[H:104])([C:42](=[O:43])[O:44][H:105])[H:106])[H:107])[H:108])([H:109])([H:110])[H:111].[H][N:45]([C:46]([C:47](=[O:48])[O:49][H:112])([H:113])[H:114])[H:115].[N:50]([C:51]1:[N:52]:[C:53]([H:117]):[N:54]:[C:55]2:[C:56]:1:[N:57]:[C:58]([H:118]):[N:59]:2[C@:60]1([H:119])[O:61][C@@:62]([C:63]([O:64][P:65](=[O:66])([O:67][H:120])[O:68][P:69](=[O:70])([O:71][H:121])[O:72][P:73](=[O:74])([O:75][H:122])[O:76][H:123])([H:124])[H:125])([H:126])[C@:77]([O:78][H:127])([H:128])[C@:79]1([O:80][H:129])[H:130])([H:131])[H:132]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:81])[C@:6]([O:7][P:8](=[O:9])([O:10][H:82])[O:11][P:12](=[O:13])([O:14][H:83])[O:15][C:16]([C@@:17]2([H:84])[O:18][C@:19]([N:20]3:[C:21]([H:85]):[C:22]([H:86]):[C:23](=[O:24]):[N:25]([H:87]):[C:26]:3=[O:27])([H:88])[C@@:28]([O:29][H:89])([H:90])[C@@:30]2([O:31][H:91])[H:92])([H:93])[H:94])([H:95])[O:32][C@@:33]([C:34]([O:35][H:96])([H:97])[H:98])([H:99])[C@:36]([O:37][H:100])([H:101])[C@@:38]1([O:39][C@:40]([C:41]([H:102])([H:103])[H:104])([C:42](=[O:43])[N:45]([C:46]([C:47](=[O:48])[O:49][H:112])([H:113])[H:114])[H:115])[H:106])[H:107])[H:108])([H:109])([H:110])[H:111].[O:44]([P:69]([O:68][P:65]([O:64][C:63]([C@@:62]1([H:126])[O:61][C@:60]([N:59]2:[C:55]3:[N:54]:[C:53]([H:117]):[N:52]:[C:51]([N:50]([H:131])[H:132]):[C:56]:3:[N:57]:[C:58]:2[H:118])([H:119])[C@@:79]([O:80][H:129])([H:130])[C@@:77]1([O:78][H:127])[H:128])([H:124])[H:125])(=[O:66])[O:67][H:120])(=[O:70])[O:71][H:121])[H:105].[H][O:72][P:73](=[O:74])([O:75][H:122])[O:76][H:123]