SMIRKS
[O:14]=[C:15]1:[C:16]([H:43]):[C:17]([H:44]):[N:18]([C@:19]2([H:45])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:46])[O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][H:49])([H:50])[H:51])([H:52])[C@:36]([O:37][H:53])([H:54])[C@:38]2([O:39][H:55])[H:56]):[C:40](=[O:41]):[N:42]:1[H:57].[H][O:7][C@@:6]1([H:61])[O:5][C@@:4]([C:2](=[O:1])[O:3][H:58])([H:59])[C@@:12]([O:13][H:66])([H:67])[C@@:10]([O:11][H:64])([H:65])[C@:8]1([O:9][H:62])[H:63]>>[O:1]=[C:2]([O:3][H:58])[C@@:4]1([H:59])[O:5][C@@:6]([O:7][P:24]([O:23][C:22]([C@@:21]2([H:52])[O:20][C@:19]([N:18]3:[C:17]([H:44]):[C:16]([H:43]):[C:15](=[O:14]):[N:42]([H:57]):[C:40]:3=[O:41])([H:45])[C@@:38]([O:39][H:55])([H:56])[C@@:36]2([O:37][H:53])[H:54])([H:50])[H:51])(=[O:25])[O:26][H:46])([H:61])[C@@:8]([O:9][H:62])([H:63])[C@:10]([O:11][H:64])([H:65])[C@:12]1([O:13][H:66])[H:67].[H][O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][H:49]
Derived Operators
EVODEX.1-E78 - Reaction Operator E
[#8:17](-[#6@:16])-[H].([#8:64]-[#15:65](=[#8:66])(-[#8:67])-[#8:68]-[#15:69].[#8:93]-[#6@@:92](-[#6@@:54])(-[H:147])-[#6@:94](-[#6@:52])(-[#8:95])-[H:149])>>([#8:17](-[#6@:16])-[#15:65](-[#8:64])(=[#8:66])-[#8:67].[#8:95]-[#6@:94](-[#6@:52])(-[H:149])-[#6@@:92](-[#6@@:54])(-[#8:93])-[H:147]).[#8:68](-[#15:69])-[H]
EVODEX.1-C1105 - Reaction Operator C
([#15:24]-[#8:27].[#6@:36]-[#6@:38]).([H]-[#8:7].[#6@@:12]-[#6@@:10]-[#6@:8])>>([#8:7]-[#15:24].[#6@@:38]-[#6@@:36].[#6@@:8]-[#6@:10]-[#6@:12]).[H]-[#8:27]
EVODEX.1-N1711 - Reaction Operator N
([#8:23]-[#15:24](=[#8:25])(-[#8:26])-[#8:27]-[#15:28].[#8:37]-[#6@@:36](-[#6@@:21])(-[H:54])-[#6@:38](-[#6@:19])(-[#8:39])-[H:56]).[H]-[#8:7]-[#6@@:6]-[#6@@:8](-[#6@:10](-[#6@:12](-[#6@@:4])(-[#8:13])-[H:67])(-[#8:11])-[H:65])(-[#8:9])-[H:63]>>([#8:7](-[#6@@:6]-[#6@@:8](-[#8:9])(-[H:63])-[#6@:10](-[#8:11])(-[H:65])-[#6@:12](-[#6@@:4])(-[#8:13])-[H:67])-[#15:24](-[#8:23])(=[#8:25])-[#8:26].[#8:39]-[#6@:38](-[#6@:19])(-[H:56])-[#6@@:36](-[#6@@:21])(-[#8:37])-[H:54]).[H]-[#8:27]-[#15:28]
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-R4485
[O:14]=[C:15]1:[C:16]([H:43]):[C:17]([H:44]):[N:18]([C@:19]2([H:45])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:46])[O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][H:49])([H:50])[H:51])([H:52])[C@:36]([O:37][H:53])([H:54])[C@:38]2([O:39][H:55])[H:56]):[C:40](=[O:41]):[N:42]:1[H:57].[H][O:7][C@@:6]1([H:61])[O:5][C@@:4]([C:2](=[O:1])[O:3][H:58])([H:59])[C@@:12]([O:13][H:66])([H:67])[C@@:10]([O:11][H:64])([H:65])[C@:8]1([O:9][H:62])[H:63]>>[O:1]=[C:2]([O:3][H:58])[C@@:4]1([H:59])[O:5][C@@:6]([O:7][P:24]([O:23][C:22]([C@@:21]2([H:52])[O:20][C@:19]([N:18]3:[C:17]([H:44]):[C:16]([H:43]):[C:15](=[O:14]):[N:42]([H:57]):[C:40]:3=[O:41])([H:45])[C@@:38]([O:39][H:55])([H:56])[C@@:36]2([O:37][H:53])[H:54])([H:50])[H:51])(=[O:25])[O:26][H:46])([H:61])[C@@:8]([O:9][H:62])([H:63])[C@:10]([O:11][H:64])([H:65])[C@:12]1([O:13][H:66])[H:67].[H][O:27][P:28](=[O:29])([O:30][H:47])[O:31][P:32](=[O:33])([O:34][H:48])[O:35][H:49]