SMIRKS
[C:1]([C:2]([C:3]([C:4]([N:5]([C:6](=[O:7])[H:23])[H:24])([C:8](=[O:9])[N:10]([C:11]([C:12]([H:25])([H:26])[H:27])([C:13](=[O:14])[N:15]([C:16]([C:17]([O:18][H:28])([H:29])[H:30])([C:19](=[O:20])[O:21][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][N:5]([C@@:4]([C:3]([C:2]([C:1]([H:41])([H:42])[H:43])([H:39])[H:40])([H:37])[H:38])([C:8](=[O:9])[N:10]([C:11]([C:12]([H:25])([H:26])[H:27])([C:13](=[O:14])[N:15]([C:16]([C:17]([O:18][H:28])([H:29])[H:30])([C:19](=[O:20])[O:21][H:31])[H:32])[H:33])[H:34])[H:35])[H:36])[H:24].[H]O[C:6](=[O:7])[H:23]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E384 - Reaction Operator E
[#6:4]-[#6:5](-[#7:6](-[#6:7](=[#8:8])-[H:36])-[H:37])(-[#6:9])-[H:57]>>[#6:4]-[#6@:5](-[#7:6](-[H:37])-[H])(-[#6:9])-[H:57].[#6:7](=[#8:8])(-[#8]-[H])-[H:36]
EVODEX.1-N86 - Reaction Operator N
[#6:4]-[#6@:5](-[#7:6](-[#6:7](=[#8:8])-[H:32])-[H:33])(-[#6:9])-[H:55]>>[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:9])-[H:55])-[H:33].[H]-[#8]-[#6:7](=[#8:8])-[H:32]
EVODEX.1-Em129 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
EVODEX.1-Nm163 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
Source Full Reactions
EVODEX.1-R6501
[C:1]([C:2]([C:3]([C:4]([N:5]([C:6](=[O:7])[H:23])[H:24])([C:8](=[O:9])[N:10]([C:11]([C:12]([H:25])([H:26])[H:27])([C:13](=[O:14])[N:15]([C:16]([C:17]([O:18][H:28])([H:29])[H:30])([C:19](=[O:20])[O:21][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:22][H:44]>>[H][N:5]([C@@:4]([C:3]([C:2]([C:1]([H:41])([H:42])[H:43])([H:39])[H:40])([H:37])[H:38])([C:8](=[O:9])[N:10]([C:11]([C:12]([H:25])([H:26])[H:27])([C:13](=[O:14])[N:15]([C:16]([C:17]([O:18][H:28])([H:29])[H:30])([C:19](=[O:20])[O:21][H:31])[H:32])[H:33])[H:34])[H:35])[H:36])[H:24].[C:6](=[O:7])([O:22][H:44])[H:23]