SMIRKS
[H][C:9]([C:8]([C:7]([N:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:33])([H:31])[H:32])([H:29])[H:30])([N:10]([C:11]([C:12]([C:13]([N:14]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26])[H:27].[H][O:15][H]>>[H][N:10]([C:11]([C:12]([C:13]([N:14]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26].[N:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:7]([C:8]([C:9](=[O:15])[H:27])([H:29])[H:30])([H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43]
Derived Operators
EVODEX.1-M5 - Mass Difference
-2.01566
EVODEX.1-E49 - Reaction Operator E
[#6:1]-[#6:2](-[#7:3](-[#6:4])-[H:28])(-[H:29])-[H].[#8:13](-[H])-[H]>>[#6:1]-[#6:2](=[#8:13])-[H:29].[#7:3](-[#6:4])(-[H:28])-[H]
EVODEX.1-N254 - Reaction Operator N
[H]-[#6:9](-[#6:8])(-[#7:10](-[#6:11])-[H:26])-[H:27].[H]-[#8:15]-[H]>>[H]-[#7:10](-[#6:11])-[H:26].[#6:8]-[#6:9](=[#8:15])-[H:27]
EVODEX.1-Em376 - Reaction Operator Em
[H]-[#6:9](-[#6:8])-[#7:10]-[#6:11].[H]-[#8:15]-[H]>>[H]-[#7:10]-[#6:11].[#6:8]-[#6:9]=[#8:15]
EVODEX.1-Nm336 - Reaction Operator Nm
[H]-[#6:9](-[#6:8])-[#7:10]-[#6:11].[H]-[#8:15]-[H]>>[H]-[#7:10]-[#6:11].[#6:8]-[#6:9]=[#8:15]
Source Full Reactions
EVODEX.1-R1094
[H][C:9]([C:8]([C:7]([N:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])[H:33])([H:31])[H:32])([H:29])[H:30])([N:10]([C:11]([C:12]([C:13]([N:14]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26])[H:27].[O:16]=[O:17].[H][O:15][H]>>[H][N:10]([C:11]([C:12]([C:13]([N:14]([H:18])[H:19])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])[H:26].[N:1]([C:2]([C:3]([C:4]([C:5]([N:6]([C:7]([C:8]([C:9](=[O:15])[H:27])([H:29])[H:30])([H:31])[H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43].[H][O:16][O:17][H]