SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:42]):[N:8]:2[C@:9]2([H:43])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:44])[O:17][C@@:18]3([H:45])[C@:19]([O:20][H:46])([H:47])[C@@:21]([N:22]4:[C:23]([H:48]):[C:24]([H:49]):[C:25](=[O:26]):[N:27]([H:50]):[C:28]:4=[O:29])([H:51])[O:30][C@@:31]3([C:32]([O:33][H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[C@:34]([O:35][H:59])([H:60])[C@:36]2([O:37][H:61])[H:62]):[C:38](=[O:39]):[N:40]:1[H:63])([H:64])[H:65].[H][O:41][H:66]>>[C@:18]1([O:41][H:66])([H:45])[C@:19]([O:20][H:46])([H:47])[C@@:21]([N:22]2:[C:23]([H:48]):[C:24]([H:49]):[C:25](=[O:26]):[N:27]([H:50]):[C:28]:2=[O:29])([H:51])[O:30][C@@:31]1([C:32]([O:33][H:52])([H:53])[H:54])[H:55].[H][O:17][P:14]([O:13][C:12]([C@@:11]1([H:58])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:64])[H:65]):[N:40]([H:63]):[C:38](=[O:39]):[C:5]:3:[N:6]:[C:7]:2[H:42])([H:43])[C@@:36]([O:37][H:61])([H:62])[C@@:34]1([O:35][H:59])[H:60])([H:56])[H:57])(=[O:15])[O:16][H:44]
Derived Operators
EVODEX.1-E148 - Reaction Operator E
[#6:6]-[#6@@:7](-[#8:8]-[#15:9])(-[H:45])-[#6@:23].[#8:32](-[H:54])-[H]>>[#6:6]-[#6@@:7](-[#8:32]-[H:54])(-[H:45])-[#6@:23].[#8:8](-[#15:9])-[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-N1734 - Reaction Operator N
([#15:14]-[#8:17]-[#6@@:18](-[H:45])(-[#6@:19])-[#6@@:31].[#8:35]-[#6@@:34](-[#6@@:11])(-[H:60])-[#6@:36](-[#6@:9])(-[#8:37])-[H:62]).[H]-[#8:41]-[H:66]>>[#8:41](-[#6@@:18](-[H:45])(-[#6@:19])-[#6@@:31])-[H:66].([H]-[#8:17]-[#15:14].[#8:37]-[#6@:36](-[#6@:9])(-[H:62])-[#6@@:34](-[#6@@:11])(-[#8:35])-[H:60])
EVODEX.1-Em620 - Reaction Operator Em
[#15:3]-[#8:6]-[#6:7](-[#6:8])-[#6:16].[H]-[#8:1]>>[H]-[#8:6]-[#15:3].[#8:1]-[#6:7](-[#6:8])-[#6:16]
EVODEX.1-Nm555 - Reaction Operator Nm
[#15:3]-[#8:6]-[#6:7](-[#6:8])-[#6:16].[H]-[#8:1]>>[H]-[#8:6]-[#15:3].[#8:1]-[#6:7](-[#6:8])-[#6:16]
Source Full Reactions
EVODEX.1-R5012
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:42]):[N:8]:2[C@:9]2([H:43])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:44])[O:17][C@@:18]3([H:45])[C@:19]([O:20][H:46])([H:47])[C@@:21]([N:22]4:[C:23]([H:48]):[C:24]([H:49]):[C:25](=[O:26]):[N:27]([H:50]):[C:28]:4=[O:29])([H:51])[O:30][C@@:31]3([C:32]([O:33][H:52])([H:53])[H:54])[H:55])([H:56])[H:57])([H:58])[C@:34]([O:35][H:59])([H:60])[C@:36]2([O:37][H:61])[H:62]):[C:38](=[O:39]):[N:40]:1[H:63])([H:64])[H:65].[H][O:41][H:66]>>[C@:18]1([O:41][H:66])([H:45])[C@:19]([O:20][H:46])([H:47])[C@@:21]([N:22]2:[C:23]([H:48]):[C:24]([H:49]):[C:25](=[O:26]):[N:27]([H:50]):[C:28]:2=[O:29])([H:51])[O:30][C@@:31]1([C:32]([O:33][H:52])([H:53])[H:54])[H:55].[H][O:17][P:14]([O:13][C:12]([C@@:11]1([H:58])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:64])[H:65]):[N:40]([H:63]):[C:38](=[O:39]):[C:5]:3:[N:6]:[C:7]:2[H:42])([H:43])[C@@:36]([O:37][H:61])([H:62])[C@@:34]1([O:35][H:59])[H:60])([H:56])[H:57])(=[O:15])[O:16][H:44]