SMIRKS
[H][C@:2]([C:1]([H:27])([H:28])[H:29])([N:3]([H:17])[H:18])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25].[O:15]=[O:16]>>O=[C:2]([C:1]([H:27])([H:28])[H:29])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25].[H][N:3]([H:17])[H:18].[H][O:15][O:16][H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E385 - Reaction Operator E
[#7:1](-[#6:2](-[#6:3])(-[#6:9])-[H])(-[H:29])-[H:30].[#8:16]=[#8:17]>>[#6:2](-[#6:3])(-[#6:9])=[#8].[#7:1](-[H:29])(-[H:30])-[H].[#8:16](-[#8:17]-[H])-[H]
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-Em355 - Reaction Operator Em
[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]
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-R1006
[H][C@:2]([C:1]([H:27])([H:28])[H:29])([N:3]([H:17])[H:18])[C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25].[O:15]=[O:16].[H][O:14][H]>>[C:1]([C:2]([C:4]1:[C:5]([H:19]):[C:6]([H:20]):[C:7]2:[C:8]([H:21]):[C:9]([H:22]):[C:10]([H:23]):[C:11]([H:24]):[C:12]:2:[C:13]:1[H:25])=[O:14])([H:27])([H:28])[H:29].[H][N:3]([H:17])[H:18].[H][O:15][O:16][H]