SMIRKS
[C:2]1([H:25]):[C:3]([H:26]):[C:4]([H:27]):[C:5]2:[C:6](:[C:7]:1[H:28]):[C:8]([H:29]):[C:9]1:[C:10]3:[C:11]:2:[C:12]([H:30]):[C:13]([H:31]):[C:14]2:[C:15]([H:32]):[C:16]([H:33]):[C:17]([H:34]):[C:18](:[C:19]:3:2)[C:20]2([H:35])[O:21][C:22]12[H:36]>>[H]O[C:20]1([H:35])[C:18]2:[C:17]([H:34]):[C:16]([H:33]):[C:15]([H:32]):[C:14]3:[C:13]([H:31]):[C:12]([H:30]):[C:11]4:[C:5]5:[C:4]([H:27]):[C:3]([H:26]):[C:2]([H:25]):[C:7]([H:28]):[C:6]:5:[C:8]([H:29]):[C:9](:[C:10]:4:[C:19]:3:2)[C:22]1([O:21][H])[H:36]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E348 - Reaction Operator E
[#8:9]1-[#6@@:8]-[#6@@:10]-1(-[#6:11])-[H:40]>>[#8:9](-[#6@@:8]-[#6@:10](-[#6:11])(-[#8]-[H])-[H:40])-[H]
EVODEX.1-N692 - Reaction Operator N
[#6:8]-[#6:9]1(-[H:17])-[#6:10]-[#8:11]-1>>[H]-[#8]-[#6:9](-[#6:8])(-[#6:10]-[#8:11]-[H])-[H:17]
EVODEX.1-Em125 - Reaction Operator Em
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]
EVODEX.1-Nm159 - Reaction Operator Nm
[#6:5]-[#6:6]1-[#8:7]-[#6:8]-1>>[H]-[#8]-[#6:6](-[#6:5])-[#6:8]-[#8:7]-[H]
Source Full Reactions
EVODEX.1-R5389
[H][O:1][H:23].[C:2]1([H:25]):[C:3]([H:26]):[C:4]([H:27]):[C:5]2:[C:6](:[C:7]:1[H:28]):[C:8]([H:29]):[C:9]1:[C:10]3:[C:11]:2:[C:12]([H:30]):[C:13]([H:31]):[C:14]2:[C:15]([H:32]):[C:16]([H:33]):[C:17]([H:34]):[C:18](:[C:19]:3:2)[C:20]2([H:35])[O:21][C:22]12[H:36]>>[H][O:21][C:22]1([H:36])[C:9]2:[C:8]([H:29]):[C:6]3:[C:5](:[C:4]([H:27]):[C:3]([H:26]):[C:2]([H:25]):[C:7]:3[H:28]):[C:11]3:[C:10]:2:[C:19]2:[C:14](:[C:13]([H:31]):[C:12]:3[H:30]):[C:15]([H:32]):[C:16]([H:33]):[C:17]([H:34]):[C:18]:2[C:20]1([O:1][H:23])[H:35]