SMIRKS
[H][N:17]([C@:16]([C:15]([C:14]([C:13]([C:12]([N:11]([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([C:18](=[O:19])[O:20][H:54])[H:55])[H:52].[N:1]([C:2]([C:3]([C:4]([C:5]([C@@:6]([N:7]([H:66])[H:67])([C:8](=[O:9])[O:10][H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79].[H]OP(=O)(O[H])O[P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:89])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:80]):[N:23]:[C:22]([N:21]([H:94])[H:95]):[C:27]:3:[N:28]:[C:29]:2[H:81])([H:82])[C@@:50]([O:51][H:92])([H:93])[C@@:48]1([O:49][H:90])[H:91])([H:87])[H:88])(=[O:37])[O:38][H:83])(=[O:41])[O:42][H:84]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@@:6]([N:7]([H:66])[H:67])([C:8](=[O:9])[N:17]([C@:16]([C:15]([C:14]([C:13]([C:12]([N:11]([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([C:18](=[O:19])[O:20][H:54])[H:55])[H:52])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79].[O:10]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:89])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:80]):[N:23]:[C:22]([N:21]([H:94])[H:95]):[C:27]:3:[N:28]:[C:29]:2[H:81])([H:82])[C@@:50]([O:51][H:92])([H:93])[C@@:48]1([O:49][H:90])[H:91])([H:87])[H:88])(=[O:37])[O:38][H:83])(=[O:41])[O:42][H:84])[H:68]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E847 - Reaction Operator E
[#6:47](-[#6@@:45])(=[#8:48])-[#8:49]-[H:119].[#7:57](-[#6@:56](-[#6@:51])(-[#6:58])-[H:134])(-[H:131])-[H].([#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:89]-[#6@@:88](-[#6@@:73])(-[H:150])-[#6@:90](-[#6@:71])(-[#8:91])-[H:152])>>[#6:47](-[#6@@:45])(=[#8:48])-[#7:57](-[#6@:56](-[#6@:51])(-[#6:58])-[H:134])-[H:131].([#8:49](-[#15:80](-[#8:79])(=[#8:81])-[#8:82])-[H:119].[#8:91]-[#6@:90](-[#6@:71])(-[H:152])-[#6@@:88](-[#6@@:73])(-[#8:89])-[H:150])
EVODEX.1-C176 - Reaction Operator C
[H]-[#7:16].[#6:13]-[#8:15].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:47]>>[#6:13]-[#7:16].[#8:15]-[#15:47]
EVODEX.1-N88 - Reaction Operator N
[H]-[#7:16](-[#6@@:17])-[H:68].[#6:13](-[#6@@:2])(=[#8:14])-[#8:15]-[H:78].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:47](-[#8:46])(=[#8:48])-[#8:49]>>[#6:13](-[#6@@:2])(=[#8:14])-[#7:16](-[#6@@:17])-[H:68].[#8:15](-[#15:47](-[#8:46])(=[#8:48])-[#8:49])-[H:78]
EVODEX.1-Em34 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Cm50 - Reaction Operator Cm
[#6:42]-[#8:44].[H]-[#7:47].[#8]-[#15:72]>>[#6:42]-[#7:47].[#8:44]-[#15:72]
EVODEX.1-Nm35 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7726
[H][N:17]([C@:16]([C:15]([C:14]([C:13]([C:12]([N:11]([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([C:18](=[O:19])[O:20][H:54])[H:55])[H:52].[N:1]([C:2]([C:3]([C:4]([C:5]([C@@:6]([N:7]([H:66])[H:67])([C:8](=[O:9])[O:10][H:68])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79].[N:21]([C:22]1:[N:23]:[C:24]([H:80]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:81]):[N:30]:2[C@:31]1([H:82])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:83])[O:39][P:40](=[O:41])([O:42][H:84])[O:43][P:44](=[O:45])([O:46][H:85])[O:47][H:86])([H:87])[H:88])([H:89])[C@:48]([O:49][H:90])([H:91])[C@:50]1([O:51][H:92])[H:93])([H:94])[H:95]>>[N:1]([C:2]([C:3]([C:4]([C:5]([C@@:6]([N:7]([H:66])[H:67])([C:8](=[O:9])[N:17]([C@:16]([C:15]([C:14]([C:13]([C:12]([N:11]([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([C:18](=[O:19])[O:20][H:54])[H:55])[H:52])[H:69])([H:70])[H:71])([H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79].[O:10]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:89])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:80]):[N:23]:[C:22]([N:21]([H:94])[H:95]):[C:27]:3:[N:28]:[C:29]:2[H:81])([H:82])[C@@:50]([O:51][H:92])([H:93])[C@@:48]1([O:49][H:90])[H:91])([H:87])[H:88])(=[O:37])[O:38][H:83])(=[O:41])[O:42][H:84])[H:68].[H][O:43][P:44](=[O:45])([O:46][H:85])[O:47][H:86]