SMIRKS
[C:1]([C:2]([C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[N:13]([C:14]1:[N:15]:[C:16]([H:62]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:63]):[N:22]:2[C@:23]1([H:64])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:65])[O:31][P:32](=[O:33])([O:34][H:66])[O:35][P:36](=[O:37])([O:38][H:67])[O:39][H:68])([H:69])[H:70])([H:71])[C@:40]([O:41][H:72])([H:73])[C@:42]1([O:43][H:74])[H:75])([H:76])[H:77]>>[C:1]([C:2]([C:3]([C:4]([S+:5]([C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:26]([C@@:25]1([H:71])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:62]):[N:15]:[C:14]([N:13]([H:76])[H:77]):[C:19]:3:[N:20]:[C:21]:2[H:63])([H:64])[C@@:42]([O:43][H:74])([H:75])[C@@:40]1([O:41][H:72])[H:73])([H:69])[H:70])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[H]O[P:28]([O:27][H])(=[O:29])[O:30][H:65].[H][O:31][P:32](=[O:33])([O:34][H:66])[O:35][P:36](=[O:37])([O:38][H:67])[O:39][H:68]
Derived Operators
EVODEX.1-M415 - Mass Difference
19.01839
EVODEX.1-E1236 - Reaction Operator E
[#6:3]-[#16:4]-[#6:5].[#6:25](-[#6@@:24]-[#6@:39](-[#8:40])(-[H:65])-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]-[#15:31])(-[H:61])-[H:62]>>[#6:3]-[#16:4](-[#6:5])-[#6:25](-[#6@@:24]-[#6@:39](-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8:40])-[H:65])(-[H:61])-[H:62].[#8:26](-[#15:27](=[#8:28])(-[#8:29])-[#8]-[H])-[H].[#8:30](-[#15:31])-[H]
EVODEX.1-C420 - Reaction Operator C
[#16:4].([#6:25]-[#8:26]-[#15:27]-[#8:30].[#6@:39]-[#6@:41])>>([#16:4]-[#6:25].[#6@@:41]-[#6@@:39]).[H]-[#8]-[#15:27]-[#8:26]-[H].[H]-[#8:30]
EVODEX.1-N501 - Reaction Operator N
[#6:3]-[#16:4]-[#6:5].[#6:25](-[#6@@:24]-[#6@:39](-[#8:40])(-[H:65])-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]-[#15:31])(-[H:61])-[H:62]>>[#6:3]-[#16:4](-[#6:5])-[#6:25](-[#6@@:24]-[#6@:39](-[#6@:41](-[#6@:22])(-[#8:42])-[H:67])(-[#8:40])-[H:65])(-[H:61])-[H:62].[H]-[#8]-[#15:27](-[#8:26]-[H])(=[#8:28])-[#8:29].[H]-[#8:30]-[#15:31]
EVODEX.1-Em533 - Reaction Operator Em
[#6:3]-[#16:4]-[#6:5].[#6:24]-[#6:25]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]-[#15:31]>>[#6:3]-[#16:4](-[#6:5])-[#6:25]-[#6:24].[H]-[#8]-[#15:27](-[#8:26]-[H])(=[#8:28])-[#8:29].[H]-[#8:30]-[#15:31]
EVODEX.1-Cm249 - Reaction Operator Cm
[#16:4].[#6:25]-[#8:26]-[#15:27]-[#8:30]>>[#16:4]-[#6:25].[#8]-[#15:27]-[#8:26]-[H].[H]-[#8:30]
EVODEX.1-Nm484 - Reaction Operator Nm
[#6:3]-[#16:4]-[#6:5].[#6:24]-[#6:25]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30]-[#15:31]>>[#6:3]-[#16:4](-[#6:5])-[#6:25]-[#6:24].[H]-[#8]-[#15:27](-[#8:26]-[H])(=[#8:28])-[#8:29].[H]-[#8:30]-[#15:31]
Source Full Reactions
EVODEX.1-R3484
[C:1]([C:2]([C:3]([C:4]([S:5][C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[HH].[N:13]([C:14]1:[N:15]:[C:16]([H:62]):[N:17]:[C:18]2:[C:19]:1:[N:20]:[C:21]([H:63]):[N:22]:2[C@:23]1([H:64])[O:24][C@@:25]([C:26]([O:27][P:28](=[O:29])([O:30][H:65])[O:31][P:32](=[O:33])([O:34][H:66])[O:35][P:36](=[O:37])([O:38][H:67])[O:39][H:68])([H:69])[H:70])([H:71])[C@:40]([O:41][H:72])([H:73])[C@:42]1([O:43][H:74])[H:75])([H:76])[H:77].[H][O:44][H:78]>>[C:1]([C:2]([C:3]([C:4]([S+:5]([C:6]([C:7]([C@:8]([N:9]([H:45])[H:46])([C:10](=[O:11])[O:12][H:47])[H:48])([H:49])[H:50])([H:51])[H:52])[C:26]([C@@:25]1([H:71])[O:24][C@:23]([N:22]2:[C:18]3:[N:17]:[C:16]([H:62]):[N:15]:[C:14]([N:13]([H:76])[H:77]):[C:19]:3:[N:20]:[C:21]:2[H:63])([H:64])[C@@:42]([O:43][H:74])([H:75])[C@@:40]1([O:41][H:72])[H:73])([H:69])[H:70])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[H][O:27][P:28](=[O:29])([O:30][H:65])[O:44][H:78].[H][O:31][P:32](=[O:33])([O:34][H:66])[O:35][P:36](=[O:37])([O:38][H:67])[O:39][H:68]