SMIRKS
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([N:11]([C:12](=[O:13])[C@:14]([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]:1[H:39])([H:40])[H:41])([N:22]([C:23](=[O:24])[C@:25]1([H:42])[C:26]([H:43])([H:44])[C:27]([H:45])([H:46])[C:28]([H:47])([H:48])[N:29]1[H:49])[H:50])[H:51])[H:52])([H:53])[H:54])[H:55])([C:30](=[O:31])[O:32][H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67]>>[H]O[C:12](=[O:13])[C@:14]([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]:1[H:39])([H:40])[H:41])([N:22]([H])[H:50])[H:51].[H]O[C:23](=[O:24])[C@:25]1([H:42])[C:26]([H:43])([H:44])[C:27]([H:45])([H:46])[C:28]([H:47])([H:48])[N:29]1[H:49].[H][N:11]([C:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([C:30](=[O:31])[O:32][H:56])[H:57])[H:55])=[O:9])([H:53])[H:54])[H:52]
Derived Operators
EVODEX.1-M21 - Mass Difference
36.021119999999996
EVODEX.1-E873 - Reaction Operator E
[#7:15](-[#6@:9])(-[#6:16](=[#8:17])-[#6@@:18]-[#7:19](-[#6:20](=[#8:21])-[#6@:22])-[H:117])-[H:124]>>[#6:16](=[#8:17])(-[#6@@:18]-[#7:19](-[H:117])-[H])-[#8]-[H].[#6:20](=[#8:21])(-[#6@:22])-[#8]-[H].[#7:15](-[#6@:9])(-[H:124])-[H]
EVODEX.1-C910 - Reaction Operator C
([#7:18]-[#6:19].[#7:29]-[#6:30].[#6@:5])>>([H]-[#8]-[#6:19].[#7:29]-[H]).[H]-[#8]-[#6:30].([H]-[#7:18].[#6@@:5])
EVODEX.1-N1257 - Reaction Operator N
([#6:4]-[#6@:5](-[#7:6])(-[#6:57])-[H:128].[#7:18](-[#6@:13])(-[#6:19](=[#8:20])-[#6@:21]-[#7:29](-[#6:30](=[#8:31])-[#6@@:32])-[H:119])-[H:121])>>[H]-[#8]-[#6:19](=[#8:20])-[#6@:21]-[#7:29](-[H])-[H:119].[H]-[#8]-[#6:30](=[#8:31])-[#6@@:32].([H]-[#7:18](-[#6@:13])-[H:121].[#7:6]-[#6@@:5](-[#6:4])(-[#6:57])-[H:128])
EVODEX.1-Em640 - Reaction Operator Em
[#6:13]-[#7:18]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[#6:30](=[#8:31])-[#6:32]>>[H]-[#8]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[H].[H]-[#8]-[#6:30](=[#8:31])-[#6:32].[H]-[#7:18]-[#6:13]
EVODEX.1-Cm154 - Reaction Operator Cm
([#7:6]-[#6:7].[#6:62]-[#7:64])>>[#8]-[#6:7].([#8]-[#6:62].[#7:6]-[H]).[H]-[#7:64]
EVODEX.1-Nm575 - Reaction Operator Nm
[#6:13]-[#7:18]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[#6:30](=[#8:31])-[#6:32]>>[H]-[#8]-[#6:19](=[#8:20])-[#6:21]-[#7:29]-[H].[H]-[#8]-[#6:30](=[#8:31])-[#6:32].[H]-[#7:18]-[#6:13]
Source Full Reactions
EVODEX.1-R5499
[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([C:8](=[O:9])[C:10]([N:11]([C:12](=[O:13])[C@:14]([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]:1[H:39])([H:40])[H:41])([N:22]([C:23](=[O:24])[C@:25]1([H:42])[C:26]([H:43])([H:44])[C:27]([H:45])([H:46])[C:28]([H:47])([H:48])[N:29]1[H:49])[H:50])[H:51])[H:52])([H:53])[H:54])[H:55])([C:30](=[O:31])[O:32][H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67].[H][O:33][H:68].[H][O:34][H:70]>>[H][N:22]([C@:14]([C:12](=[O:13])[O:33][H:68])([C:15]([C:16]1:[C:17]([H:35]):[C:18]([H:36]):[C:19]([H:37]):[C:20]([H:38]):[C:21]:1[H:39])([H:40])[H:41])[H:51])[H:50].[C:23](=[O:24])([C@:25]1([H:42])[C:26]([H:43])([H:44])[C:27]([H:45])([H:46])[C:28]([H:47])([H:48])[N:29]1[H:49])[O:34][H:70].[H][N:11]([C:10]([C:8]([N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:66])[H:67])([H:64])[H:65])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([C:30](=[O:31])[O:32][H:56])[H:57])[H:55])=[O:9])([H:53])[H:54])[H:52]