SMIRKS
[H][O:6][C:5]([N:4]=[N+:2]([C:1]([H:46])([H:47])[H:48])[O-:3])([H:44])[H:45].[O:7]=[C:8]1:[C:9]([H:49]):[C:10]([H:50]):[N:11]([C@:12]2([H:51])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:52])[O:20][P:21](=[O:22])([O:23][H:53])[O:24][C@@:25]3([H:54])[O:26][C@@:27]([C:28]([O:29][H:55])([H:56])[H:57])([H:58])[C@:30]([O:31][H:59])([H:60])[C@@:32]([O:33][H:61])([H:62])[C@:34]3([O:35][H:63])[H:64])([H:65])[H:66])([H:67])[C@:36]([O:37][H:68])([H:69])[C@:38]2([O:39][H:70])[H:71]):[C:40](=[O:41]):[N:42]:1[H:72]>>[C:1]([N+:2]([O-:3])=[N:4][C:5]([O:6][C@:25]1([H:54])[O:26][C@@:27]([C:28]([O:29][H:55])([H:56])[H:57])([H:58])[C@:30]([O:31][H:59])([H:60])[C@@:32]([O:33][H:61])([H:62])[C@:34]1([O:35][H:63])[H:64])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:67])[O:13][C@:12]([N:11]2:[C:10]([H:50]):[C:9]([H:49]):[C:8](=[O:7]):[N:42]([H:72]):[C:40]:2=[O:41])([H:51])[C@@:38]([O:39][H:70])([H:71])[C@@:36]1([O:37][H:68])[H:69])([H:65])[H:66])(=[O:18])[O:19][H:52])(=[O:22])[O:23][H:53]
Derived Operators
EVODEX.1-E204 - Reaction Operator E
[#6:10]-[#8:11]-[H].[#15:38]-[#8:41]-[#6@@:42](-[H:75])(-[#8:43])-[#6@:49]>>[#6:10]-[#8:11]-[#6@:42](-[H:75])(-[#8:43])-[#6@:49].[#15:38]-[#8:41]-[H]
EVODEX.1-C42 - Reaction Operator C
([#8:19]-[#6:20].[#6@:32]-[#6@:34]).[H]-[#8:36]>>[#6:20]-[#8:36].([H]-[#8:19].[#6@@:34]-[#6@@:32])
EVODEX.1-N24 - Reaction Operator N
([#15:15]-[#8:18]-[#6@@:19](-[H:72])(-[#8:20])-[#6@:26].[#8:29]-[#6@@:28](-[#6@@:8])(-[H:85])-[#6@:30](-[#6@:6])(-[#8:31])-[H:87]).[H]-[#8:62]-[#6@@:61]>>[#8:62](-[#6@:19](-[H:72])(-[#8:20])-[#6@:26])-[#6@@:61].([H]-[#8:18]-[#15:15].[#8:31]-[#6@:30](-[#6@:6])(-[H:87])-[#6@@:28](-[#6@@:8])(-[#8:29])-[H:85])
EVODEX.1-Em20 - Reaction Operator Em
[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]
EVODEX.1-Nm20 - Reaction Operator Nm
[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]
Source Full Reactions
EVODEX.1-R3041
[H][O:6][C:5]([N:4]=[N+:2]([C:1]([H:46])([H:47])[H:48])[O-:3])([H:44])[H:45].[O:7]=[C:8]1:[C:9]([H:49]):[C:10]([H:50]):[N:11]([C@:12]2([H:51])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:52])[O:20][P:21](=[O:22])([O:23][H:53])[O:24][C@@:25]3([H:54])[O:26][C@@:27]([C:28]([O:29][H:55])([H:56])[H:57])([H:58])[C@:30]([O:31][H:59])([H:60])[C@@:32]([O:33][H:61])([H:62])[C@:34]3([O:35][H:63])[H:64])([H:65])[H:66])([H:67])[C@:36]([O:37][H:68])([H:69])[C@:38]2([O:39][H:70])[H:71]):[C:40](=[O:41]):[N:42]:1[H:72]>>[C:1]([N+:2]([O-:3])=[N:4][C:5]([O:6][C@:25]1([H:54])[O:26][C@@:27]([C:28]([O:29][H:55])([H:56])[H:57])([H:58])[C@:30]([O:31][H:59])([H:60])[C@@:32]([O:33][H:61])([H:62])[C@:34]1([O:35][H:63])[H:64])([H:44])[H:45])([H:46])([H:47])[H:48].[H][O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:67])[O:13][C@:12]([N:11]2:[C:10]([H:50]):[C:9]([H:49]):[C:8](=[O:7]):[N:42]([H:72]):[C:40]:2=[O:41])([H:51])[C@@:38]([O:39][H:70])([H:71])[C@@:36]1([O:37][H:68])[H:69])([H:65])[H:66])(=[O:18])[O:19][H:52])(=[O:22])[O:23][H:53]