SMIRKS
[H][C:22]([N:21]([C:19]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:62])[H:63])([C:26](=[O:27])[O:28][H:60])[H:61])([H:58])[H:59])([H:56])[H:57])=[O:6])[H:55])([C:9]([S:10][C:11]([C:12]([C:13](=[O:14])[O:15][H:43])([H:44])[H:45])([C:16](=[O:17])[O:18][H:46])[H:47])([H:48])[H:49])[H:54])=[O:20])[H:53])([C:23](=[O:24])[O:25][H:50])[H:51].[H][O:38][C:37]1=[C:39]([O:40][H])[C:30](=[O:29])[O:31][C@@:32]1([C@@:33]([O:34][H:64])([C:35]([O:36][H:65])([H:66])[H:67])[H:68])[H:69]>>[H]O[C:22]([N:21]([C:19]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:62])[H:63])([C:26](=[O:27])[O:28][H:60])[H:61])([H:58])[H:59])([H:56])[H:57])=[O:6])[H:55])([C:9]([S:10][C:11]([C:12]([C:13](=[O:14])[O:15][H:43])([H:44])[H:45])([C:16](=[O:17])[O:18][H:46])[H:47])([H:48])[H:49])[H:54])=[O:20])[H:53])([C:23](=[O:24])[O:25][H:50])[H:51].[O:29]=[C:30]1[O:31][C@@:32]([C@@:33]([O:34][H:64])([C:35]([O:36][H:65])([H:66])[H:67])[H:68])([H:69])[C:37](=[O:38])[C:39]1=[O:40]
Derived Operators
EVODEX.1-M29 - Mass Difference
13.97924
EVODEX.1-E429 - Reaction Operator E
[#7:8]-[#6:9](-[#6:10])(-[H:34])-[H].[#8:19]=[#6:20]-[#6:29](=[#6:27]-[#8:28]-[H])-[#8:30]-[H]>>[#7:8]-[#6:9](-[#6:10])(-[#8]-[H])-[H:34].[#8:19]=[#6:20]-[#6:29](-[#6:27]=[#8:28])=[#8:30]
EVODEX.1-C222 - Reaction Operator C
([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[H]-[#8]-[#6:4]
EVODEX.1-N200 - Reaction Operator N
[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])(-[#7:5])-[H:43]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])(-[#7:5])-[H:43]
EVODEX.1-Em282 - Reaction Operator Em
[H]-[#8:24]-[#6:23]=[#6:25](-[#8:26]-[H])-[#6:16]=[#8:15].[H]-[#6:4](-[#6:2])-[#7:5]>>[#8:15]=[#6:16]-[#6:25](-[#6:23]=[#8:24])=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]
EVODEX.1-Cm200 - Reaction Operator Cm
([H]-[#8:24].[#8:26]-[H]).[H]-[#6:4]>>([#8:24].[#8:26]).[#8]-[#6:4]
EVODEX.1-Nm280 - Reaction Operator Nm
[H]-[#8:24]-[#6:23]=[#6:25]-[#8:26]-[H].[H]-[#6:4](-[#6:2])-[#7:5]>>[#6:23](=[#8:24])-[#6:25]=[#8:26].[H]-[#8]-[#6:4](-[#6:2])-[#7:5]
Source Full Reactions
EVODEX.1-R551
[H][C:22]([N:21]([C:19]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:62])[H:63])([C:26](=[O:27])[O:28][H:60])[H:61])([H:58])[H:59])([H:56])[H:57])=[O:6])[H:55])([C:9]([S:10][C:11]([C:12]([C:13](=[O:14])[O:15][H:43])([H:44])[H:45])([C:16](=[O:17])[O:18][H:46])[H:47])([H:48])[H:49])[H:54])=[O:20])[H:53])([C:23](=[O:24])[O:25][H:50])[H:51].[H][O:38][C:37]1=[C:39]([O:40][H])[C:30](=[O:29])[O:31][C@@:32]1([C@@:33]([O:34][H:64])([C:35]([O:36][H:65])([H:66])[H:67])[H:68])[H:69].[O:41]=[O:42]>>[H][O:41][C:22]([N:21]([C:19]([C@@:8]([N:7]([C:5]([C:4]([C:3]([C@:2]([N:1]([H:62])[H:63])([C:26](=[O:27])[O:28][H:60])[H:61])([H:58])[H:59])([H:56])[H:57])=[O:6])[H:55])([C:9]([S:10][C:11]([C:12]([C:13](=[O:14])[O:15][H:43])([H:44])[H:45])([C:16](=[O:17])[O:18][H:46])[H:47])([H:48])[H:49])[H:54])=[O:20])[H:53])([C:23](=[O:24])[O:25][H:50])[H:51].[O:29]=[C:30]1[O:31][C@@:32]([C@@:33]([O:34][H:64])([C:35]([O:36][H:65])([H:66])[H:67])[H:68])([H:69])[C:37](=[O:38])[C:39]1=[O:40].[H][O:42][H]