SMIRKS
[H][C@@:2]([N:1]([H:36])[H:37])([C:3]([C:4]([C:5]([C:6]([N:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[C:14](=[O:15])[O:16][H:34].[O:18]=[O:19]>>O=[C:2]([C:3]([C:4]([C:5]([C:6]([N:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[C:14](=[O:15])[O:16][H:34].[H][N:1]([H:36])[H:37].[H][O:18][O:19][H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-C28 - Reaction Operator C
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-N43 - Reaction Operator N
[H]-[#6@:2](-[#6:1])(-[#7:3](-[H:17])-[H:18])-[#6:4].[#8:15]=[#8:16]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#7:3](-[H:17])-[H:18].[H]-[#8:15]-[#8:16]-[H]
EVODEX.1-Em344 - Reaction Operator Em
[H]-[#6:2](-[#7:1])(-[#6:3]=[#8:4])-[#6:6].[#8:14]=[#8:15]>>[#8]=[#6:2](-[#6:3]=[#8:4])-[#6:6].[H]-[#7:1].[H]-[#8:14]-[#8:15]-[H]
EVODEX.1-Cm67 - Reaction Operator Cm
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-Nm116 - Reaction Operator Nm
[H]-[#6:2](-[#6:1])(-[#7:3])-[#6:4].[#8:15]=[#8:16]>>[#8]=[#6:2](-[#6:1])-[#6:4].[H]-[#7:3].[H]-[#8:15]-[#8:16]-[H]
Source Full Reactions
EVODEX.1-R1001
[H][C@@:2]([N:1]([H:36])[H:37])([C:3]([C:4]([C:5]([C:6]([N:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])[C:14](=[O:15])[O:16][H:34].[O:18]=[O:19].[H][O:17][H]>>[C:2]([C:3]([C:4]([C:5]([C:6]([N:7]([C:8]1:[C:9]([H:20]):[C:10]([H:21]):[C:11]([H:22]):[C:12]([H:23]):[C:13]:1[H:24])[H:25])([H:26])[H:27])([H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([C:14](=[O:15])[O:16][H:34])=[O:17].[H][N:1]([H:36])[H:37].[H][O:18][O:19][H]