SMIRKS
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:43])[C@:6]([O:7][P:8](=[O:9])([O:10][H:44])[O:11][P:12](=[O:13])([O:14][H:45])[O:15][C:16]([C@@:17]2([H:46])[O:18][C@:19]([N:20]3:[C:21]([H:47]):[C:22]([H:48]):[C:23](=[O:24]):[N:25]([H:49]):[C:26]:3=[O:27])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]2([O:31][H:53])[H:54])([H:55])[H:56])([H:57])[O:32][C@@:33]([C:34]([H:58])([H:59])[H:60])([H:61])[C@:35]([N:36]([C:37]([C:38]([H:62])([H:63])[H:64])=[O:39])[H:65])([H:66])[C@@:40]1([O:41][H:67])[H:68])[H:69])([H:70])([H:71])[H:72]>>[H]O[C:6]1([H:57])[C@@:5]([N:4]([C:2]([C:1]([H:70])([H:71])[H:72])=[O:3])[H:69])([H:43])[C@:40]([O:41][H:67])([H:68])[C@@:35]([N:36]([C:37]([C:38]([H:62])([H:63])[H:64])=[O:39])[H:65])([H:66])[C@:33]([C:34]([H:58])([H:59])[H:60])([H:61])[O:32]1.[H][O:7][P:8](=[O:9])([O:10][H:44])[O:11][P:12](=[O:13])([O:14][H:45])[O:15][C:16]([C@@:17]1([H:46])[O:18][C@:19]([N:20]2:[C:21]([H:47]):[C:22]([H:48]):[C:23](=[O:24]):[N:25]([H:49]):[C:26]:2=[O:27])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E371 - Reaction Operator E
[#15:18]-[#8:21]-[#6:22](-[H:45])(-[#8:23])-[#6@@:31]>>[#8](-[#6@@:22](-[H:45])(-[#8:23])-[#6@@:31])-[H].[#15:18]-[#8:21]-[H]
EVODEX.1-C167 - Reaction Operator C
([#8:7]-[#6@:6].[#6@@:21]-[#6@@:24]-[#6@@:26])>>([H]-[#8]-[#6@@:6].[#6@:26]-[#6@:24]-[#6@:21]).[H]-[#8:7]
EVODEX.1-N1774 - Reaction Operator N
[#8:7](-[#6@@:6]1(-[#6@@:5]-[#6@:40](-[#6@@:35](-[#6@:33](-[#8:32]-1)(-[#6:34])-[H:61])(-[#7:36])-[H:66])(-[#8:41])-[H:68])-[H:57])-[#15:8]>>[H]-[#8]-[#6:6]1(-[H:57])-[#6@@:5]-[#6@:40](-[#8:41])(-[H:68])-[#6@@:35](-[#7:36])(-[H:66])-[#6@:33](-[#6:34])(-[H:61])-[#8:32]-1.[H]-[#8:7]-[#15:8]
EVODEX.1-Em492 - Reaction Operator Em
[#15:18]-[#8:21]-[#6:22](-[#8:23])-[#6:31]>>[H]-[#8]-[#6:22](-[#8:23])-[#6:31].[H]-[#8:21]-[#15:18]
EVODEX.1-Nm443 - Reaction Operator Nm
[#15:18]-[#8:21]-[#6:22](-[#8:23])-[#6:31]>>[H]-[#8]-[#6:22](-[#8:23])-[#6:31].[H]-[#8:21]-[#15:18]
Source Full Reactions
EVODEX.1-R5260
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:43])[C@:6]([O:7][P:8](=[O:9])([O:10][H:44])[O:11][P:12](=[O:13])([O:14][H:45])[O:15][C:16]([C@@:17]2([H:46])[O:18][C@:19]([N:20]3:[C:21]([H:47]):[C:22]([H:48]):[C:23](=[O:24]):[N:25]([H:49]):[C:26]:3=[O:27])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]2([O:31][H:53])[H:54])([H:55])[H:56])([H:57])[O:32][C@@:33]([C:34]([H:58])([H:59])[H:60])([H:61])[C@:35]([N:36]([C:37]([C:38]([H:62])([H:63])[H:64])=[O:39])[H:65])([H:66])[C@@:40]1([O:41][H:67])[H:68])[H:69])([H:70])([H:71])[H:72].[H][O:42][H:73]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:43])[C:6]([O:42][H:73])([H:57])[O:32][C@@:33]([C:34]([H:58])([H:59])[H:60])([H:61])[C@:35]([N:36]([C:37]([C:38]([H:62])([H:63])[H:64])=[O:39])[H:65])([H:66])[C@@:40]1([O:41][H:67])[H:68])[H:69])([H:70])([H:71])[H:72].[H][O:7][P:8](=[O:9])([O:10][H:44])[O:11][P:12](=[O:13])([O:14][H:45])[O:15][C:16]([C@@:17]1([H:46])[O:18][C@:19]([N:20]2:[C:21]([H:47]):[C:22]([H:48]):[C:23](=[O:24]):[N:25]([H:49]):[C:26]:2=[O:27])([H:50])[C@@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56]