SMIRKS
[C:1](=[C:2]([C@@:3]1([H:41])[C@@:4]([O:5][C@:6]2([H:42])[O:7][C@@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@:15]2([O:16][H:51])[H:52])([H:53])[O:17][C:18]([H:54])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:55])([H:56])[H:57])[C@:24]1([C:25]([C@@:26]1([H:58])[C:27]2:[N:28]([H:59]):[C:29]3:[C:30]([H:60]):[C:31]([H:61]):[C:32]([H:62]):[C:33]([H:63]):[C:34]:3:[C:35]:2[C:36]([H:64])([H:65])[C:37]([H:66])([H:67])[N:38]1[C:39]([H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74])([H:75])[H:76]>>[H]O[C@@:4]1([H:53])[C@@:3]([C:2](=[C:1]([H:75])[H:76])[H:74])([H:41])[C@@:24]([C:25]([C@@:26]2([H:58])[C:27]3:[N:28]([H:59]):[C:29]4:[C:30]([H:60]):[C:31]([H:61]):[C:32]([H:62]):[C:33]([H:63]):[C:34]:4:[C:35]:3[C:36]([H:64])([H:65])[C:37]([H:66])([H:67])[N:38]2[C:39]([H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[C:19]([C:20](=[O:21])[O:22][C:23]([H:55])([H:56])[H:57])=[C:18]([H:54])[O:17]1.[H][O:5][C:6]1([H:42])[O:7][C@@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@:15]1([O:16][H:51])[H:52]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E396 - Reaction Operator E
[#8:7]-[#6@:8](-[#8:9]-[#6@:10](-[H:30])(-[#8:11])-[#6@:19])(-[H:41])-[#6@@:21]>>[#8:7]-[#6@:8](-[#8]-[H])(-[H:41])-[#6@@:21].[#8:9](-[#6:10](-[H:30])(-[#8:11])-[#6@:19])-[H]
EVODEX.1-C189 - Reaction Operator C
([#8:33](-[#6@@:31])-[#6:34].[#6@:5])>>([H]-[#8]-[#6@@:31].[#6@@:5]).[H]-[#8:33]-[#6@:34]
EVODEX.1-N670 - Reaction Operator N
[#8:5](-[#6@:4](-[#6@@:3]-[#6@@:24](-[#6:19])(-[#6:25])-[H:70])(-[H:52])-[#8:17])-[#6@@:6](-[H:41])(-[#8:7])-[#6@@:15]>>[H]-[#8]-[#6@:6](-[H:41])(-[#8:7])-[#6@@:15].[H]-[#8:5]-[#6:4](-[H:52])(-[#6@@:3]-[#6@@:24](-[#6:25])(-[H:70])-[#6:19])-[#8:17]
EVODEX.1-Em39 - Reaction Operator Em
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
EVODEX.1-Nm43 - Reaction Operator Nm
[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]
Source Full Reactions
EVODEX.1-R5164
[C:1](=[C:2]([C@@:3]1([H:41])[C@@:4]([O:5][C@:6]2([H:42])[O:7][C@@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@:15]2([O:16][H:51])[H:52])([H:53])[O:17][C:18]([H:54])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:55])([H:56])[H:57])[C@:24]1([C:25]([C@@:26]1([H:58])[C:27]2:[N:28]([H:59]):[C:29]3:[C:30]([H:60]):[C:31]([H:61]):[C:32]([H:62]):[C:33]([H:63]):[C:34]:3:[C:35]:2[C:36]([H:64])([H:65])[C:37]([H:66])([H:67])[N:38]1[C:39]([H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74])([H:75])[H:76].[H][O:40][H:77]>>[C:1](=[C:2]([C@@:3]1([H:41])[C@@:4]([O:40][H:77])([H:53])[O:17][C:18]([H:54])=[C:19]([C:20](=[O:21])[O:22][C:23]([H:55])([H:56])[H:57])[C@:24]1([C:25]([C@@:26]1([H:58])[C:27]2:[N:28]([H:59]):[C:29]3:[C:30]([H:60]):[C:31]([H:61]):[C:32]([H:62]):[C:33]([H:63]):[C:34]:3:[C:35]:2[C:36]([H:64])([H:65])[C:37]([H:66])([H:67])[N:38]1[C:39]([H:68])([H:69])[H:70])([H:71])[H:72])[H:73])[H:74])([H:75])[H:76].[H][O:5][C:6]1([H:42])[O:7][C@@:8]([C:9]([O:10][H:43])([H:44])[H:45])([H:46])[C@:11]([O:12][H:47])([H:48])[C@@:13]([O:14][H:49])([H:50])[C@:15]1([O:16][H:51])[H:52]