SMIRKS
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:12][C:13]([C@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][C:25]([C@@:26]1([H:67])[O:27][C@:28]([N:29]2:[C:30]([H:68]):[C:31]([H:69]):[C:32](=[N:33][H:70]):[N:34]([H:71]):[C:35]:2=[O:36])([H:72])[C@@:37]([O:38][H:73])([H:74])[C@@:39]1([O:40][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([O:41][C:42](=[O:43])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])([H:120])[H:121]>>[H][O:20][P:17]([O:16][C:15]([C@@:14]([C:13]([O:12][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])=[O:11])([H:101])[H:102])([O:41][C:42](=[O:43])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])([H:79])[H:80])(=[O:18])[O:19][H:65].[H]O[C@@]1([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[P:21](=[O:22])([O:23][H:66])[O:24][C:25]([C@@:26]2([H:67])[O:27][C@:28]([N:29]3:[C:30]([H:68]):[C:31]([H:69]):[C:32](=[N:33][H:70]):[N:34]([H:71]):[C:35]:3=[O:36])([H:72])[C@@:37]([O:38][H:73])([H:74])[C@@:39]2([O:40][H:75])[H:76])([H:77])[H:78])[C@@]([H])(O[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F315 - Elemental Balance
| O | 6 |
| C | 6 |
| H | 12 |
EVODEX.1-M53 - Mass Difference
180.06336000000002
EVODEX.1-E1090 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6@]1(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H]
EVODEX.1-C1108 - Reaction Operator C
([#8:20]-[#15:21].[#6@:14])>>([H]-[#8:20].[#6@@:14]).[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[#15:21])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N1363 - Reaction Operator N
([#6:13]-[#6@:14](-[#6:15])(-[#8:41])-[H:100].[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24])>>([H]-[#8:20]-[#15:17].[#6:15]-[#6@@:14](-[#6:13])(-[#8:41])-[H:100]).[H]-[#8]-[#6@@]1(-[H])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[#15:21](=[#8:22])(-[#8:23])-[#8:24])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4522
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10](=[O:11])[O:12][C:13]([C@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:65])[O:20][P:21](=[O:22])([O:23][H:66])[O:24][C:25]([C@@:26]1([H:67])[O:27][C@:28]([N:29]2:[C:30]([H:68]):[C:31]([H:69]):[C:32](=[N:33][H:70]):[N:34]([H:71]):[C:35]:2=[O:36])([H:72])[C@@:37]([O:38][H:73])([H:74])[C@@:39]1([O:40][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([O:41][C:42](=[O:43])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])([H:101])[H:102])([H:103])[H:104])([H:105])[H:106])([H:107])[H:108])([H:109])[H:110])([H:111])[H:112])([H:113])[H:114])([H:115])[H:116])([H:117])[H:118])([H:119])([H:120])[H:121].[H][O:53][C@@:54]1([H:122])[C@@:55]([O:56][H:123])([H:124])[C@:57]([O:58][H:125])([H:126])[C@@:59]([O:60][H:127])([H:128])[C@:61]([O:62][H:129])([H:130])[C@:63]1([O:64][H:131])[H:132]>>[H][O:20][P:17]([O:16][C:15]([C@@:14]([C:13]([O:12][C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:119])([H:120])[H:121])([H:117])[H:118])([H:115])[H:116])([H:113])[H:114])([H:111])[H:112])([H:109])[H:110])([H:107])[H:108])([H:105])[H:106])([H:103])[H:104])=[O:11])([H:101])[H:102])([O:41][C:42](=[O:43])[C:44]([C:45]([C:46]([C:47]([C:48]([C:49]([C:50]([C:51]([C:52]([H:81])([H:82])[H:83])([H:84])[H:85])([H:86])[H:87])([H:88])[H:89])([H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])([H:79])[H:80])(=[O:18])[O:19][H:65].[P:21](=[O:22])([O:23][H:66])([O:24][C:25]([C@@:26]1([H:67])[O:27][C@:28]([N:29]2:[C:30]([H:68]):[C:31]([H:69]):[C:32](=[N:33][H:70]):[N:34]([H:71]):[C:35]:2=[O:36])([H:72])[C@@:37]([O:38][H:73])([H:74])[C@@:39]1([O:40][H:75])[H:76])([H:77])[H:78])[O:53][C@:54]1([H:122])[C@@:55]([O:56][H:123])([H:124])[C@:57]([O:58][H:125])([H:126])[C@@:59]([O:60][H:127])([H:128])[C@:61]([O:62][H:129])([H:130])[C@@:63]1([O:64][H:131])[H:132]