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])[N:27]([H:59])[C:28]([H:60])([H:61])[C:29]([H:62])([H:63])[C:30]2:[C:31]1:[N:32]([H:64]):[C:33]1:[C:34]([H:65]):[C:35]([H:66]):[C:36]([H:67]):[C:37]([C:38]([H:68])([H:69])[H:70]):[C:39]:2:1)([H:71])[H:72])[H:73])[H:74])([H:75])[H:76]>>[H]O[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].[H][O:5][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])[N:27]([H:59])[C:28]([H:60])([H:61])[C:29]([H:62])([H:63])[C:30]3:[C:31]2:[N:32]([H:64]):[C:33]2:[C:34]([H:65]):[C:35]([H:66]):[C:36]([H:67]):[C:37]([C:38]([H:68])([H:69])[H:70]):[C:39]:3:2)([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
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-R5158
[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])[N:27]([H:59])[C:28]([H:60])([H:61])[C:29]([H:62])([H:63])[C:30]2:[C:31]1:[N:32]([H:64]):[C:33]1:[C:34]([H:65]):[C:35]([H:66]):[C:36]([H:67]):[C:37]([C:38]([H:68])([H:69])[H:70]):[C:39]:2:1)([H:71])[H:72])[H:73])[H:74])([H:75])[H:76].[H][O:40][H:77]>>[C@:6]1([O:40][H:77])([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].[H][O:5][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])[N:27]([H:59])[C:28]([H:60])([H:61])[C:29]([H:62])([H:63])[C:30]3:[C:31]2:[N:32]([H:64]):[C:33]2:[C:34]([H:65]):[C:35]([H:66]):[C:36]([H:67]):[C:37]([C:38]([H:68])([H:69])[H:70]):[C:39]:3:2)([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