SMIRKS
[H][O:5][C:4]1([H:46])[O:3][C@:2]([C:1]([H:53])([H:54])[H:55])([H:44])[C@:10]([O:11][H:51])([H:52])[C@:8]([O:9][H:49])([H:50])[C@@:6]1([O:7][H:47])[H:48].[N:12]([C:13]1:[N:14]:[C:15]2:[C:16](:[N:17]:[C:18]([H:56]):[N:19]:2[C@:20]2([H:57])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:58])[O:28][P:29](=[O:30])([O:31][H:59])[O:32][P:33](=[O:34])([O:35][H:60])[O:36][H:61])([H:62])[H:63])([H:64])[C@:37]([O:38][H:65])([H:66])[C@:39]2([O:40][H:67])[H:68]):[C:41](=[O:42]):[N:43]:1[H:69])([H:70])[H:71]>>[C:1]([C@:2]1([H:44])[O:3][C@@:4]([O:5][P:33](=[O:34])([O:35][H:60])[O:36][H:61])([H:46])[C@:6]([O:7][H:47])([H:48])[C@@:8]([O:9][H:49])([H:50])[C@@:10]1([O:11][H:51])[H:52])([H:53])([H:54])[H:55].[H][O:32][P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:64])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([N:12]([H:70])[H:71]):[N:43]([H:69]):[C:41](=[O:42]):[C:16]:3:[N:17]:[C:18]:2[H:56])([H:57])[C@@:39]([O:40][H:67])([H:68])[C@@:37]1([O:38][H:65])[H:66])([H:62])[H:63])(=[O:26])[O:27][H:58])(=[O:30])[O:31][H:59]
Derived Operators
EVODEX.1-E290 - Reaction Operator E
[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23].[#8:32](-[#6:33](-[H:62])(-[#8:34])-[#6@:44])-[H]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8:32]-[#6@@:33](-[H:62])(-[#8:34])-[#6@:44]
EVODEX.1-C880 - Reaction Operator C
[H]-[#8:5]-[#6:4]-[#6@@:6]-[#6@:8]-[#6@:10].([#8:32]-[#15:33].[#6@:37]-[#6@:39])>>[#8:5](-[#6@@:4]-[#6@:6]-[#6@@:8]-[#6@@:10])-[#15:33].([H]-[#8:32].[#6@@:39]-[#6@@:37])
EVODEX.1-N1225 - Reaction Operator N
[H]-[#8:5]-[#6:4]1(-[H:46])-[#8:3]-[#6@:2]-[#6@:10](-[#8:11])(-[H:52])-[#6@:8](-[#8:9])(-[H:50])-[#6@@:6]-1(-[#8:7])-[H:48].([#15:29]-[#8:32]-[#15:33](=[#8:34])(-[#8:35])-[#8:36].[#8:38]-[#6@@:37](-[#6@@:22])(-[H:66])-[#6@:39](-[#6@:20])(-[#8:40])-[H:68])>>[#8:3]1-[#6@:2]-[#6@:10](-[#6@:8](-[#6@@:6](-[#6@:4]-1(-[#8:5]-[#15:33](=[#8:34])(-[#8:35])-[#8:36])-[H:46])(-[#8:7])-[H:48])(-[#8:9])-[H:50])(-[#8:11])-[H:52].([H]-[#8:32]-[#15:29].[#8:40]-[#6@:39](-[#6@:20])(-[H:68])-[#6@@:37](-[#6@@:22])(-[#8:38])-[H:66])
EVODEX.1-Em16 - Reaction Operator Em
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
EVODEX.1-Nm19 - Reaction Operator Nm
[#15:23]-[#8:26]-[#15:27](=[#8:28])(-[#8:29])-[#8:30].[H]-[#8:65]-[#6:66]>>[H]-[#8:26]-[#15:23].[#15:27](=[#8:28])(-[#8:29])(-[#8:30])-[#8:65]-[#6:66]
Source Full Reactions
EVODEX.1-R4076
[H][O:5][C:4]1([H:46])[O:3][C@:2]([C:1]([H:53])([H:54])[H:55])([H:44])[C@:10]([O:11][H:51])([H:52])[C@:8]([O:9][H:49])([H:50])[C@@:6]1([O:7][H:47])[H:48].[N:12]([C:13]1:[N:14]:[C:15]2:[C:16](:[N:17]:[C:18]([H:56]):[N:19]:2[C@:20]2([H:57])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:58])[O:28][P:29](=[O:30])([O:31][H:59])[O:32][P:33](=[O:34])([O:35][H:60])[O:36][H:61])([H:62])[H:63])([H:64])[C@:37]([O:38][H:65])([H:66])[C@:39]2([O:40][H:67])[H:68]):[C:41](=[O:42]):[N:43]:1[H:69])([H:70])[H:71]>>[C:1]([C@:2]1([H:44])[O:3][C@@:4]([O:5][P:33](=[O:34])([O:35][H:60])[O:36][H:61])([H:46])[C@:6]([O:7][H:47])([H:48])[C@@:8]([O:9][H:49])([H:50])[C@@:10]1([O:11][H:51])[H:52])([H:53])([H:54])[H:55].[H][O:32][P:29]([O:28][P:25]([O:24][C:23]([C@@:22]1([H:64])[O:21][C@:20]([N:19]2:[C:15]3:[N:14]:[C:13]([N:12]([H:70])[H:71]):[N:43]([H:69]):[C:41](=[O:42]):[C:16]:3:[N:17]:[C:18]:2[H:56])([H:57])[C@@:39]([O:40][H:67])([H:68])[C@@:37]1([O:38][H:65])[H:66])([H:62])[H:63])(=[O:26])[O:27][H:58])(=[O:30])[O:31][H:59]