SMIRKS
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[O:13][C@@:14]([O:15][C@@:16]2([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]3([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]3([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]2([O:37][H:73])[H:74])([C:38](=[O:39])[O:40][H:75])[C:41]([H:76])([H:77])[C@@:42]1([O:43][H:78])[H:79])[H:80])([H:81])([H:82])[H:83]>>[H]O[C@:14]1([C:38](=[O:39])[O:40][H:75])[O:13][C@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[C@@:5]([N:4]([C:2]([C:1]([H:81])([H:82])[H:83])=[O:3])[H:80])([H:45])[C@:42]([O:43][H:78])([H:79])[C:41]1([H:76])[H:77].[H][O:15][C@@:16]1([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]2([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]2([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]1([O:37][H:73])[H:74]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E388 - Reaction Operator E
[#8:13]-[#6@:14](-[#8:15]-[#6:16])(-[#6:22])-[#6:25]>>[#8:13]-[#6@:14](-[#6:22])(-[#8]-[H])-[#6:25].[#8:15](-[#6:16])-[H]
EVODEX.1-C1004 - Reaction Operator C
([#8:15]-[#6@:14].[#6@@:6].[#6@@:31])>>([H]-[#8]-[#6@:14].[#6@:6].[#6@:31]).[H]-[#8:15]
EVODEX.1-N1251 - Reaction Operator N
[H:42]-[#6@@:6]1(-[#6@@:5]-[#6@:31](-[#6:30]-[#6@@:14](-[#8:13]-1)(-[#8:15]-[#6:16])-[#6:27])(-[#8:32])-[H:58])-[#6@@:7]>>[H]-[#8]-[#6@:14]1(-[#6:27])-[#8:13]-[#6@:6](-[#6@@:7])(-[H:42])-[#6@@:5]-[#6@:31](-[#8:32])(-[H:58])-[#6:30]-1.[H]-[#8:15]-[#6:16]
EVODEX.1-Em632 - Reaction Operator Em
[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:27])-[#6:30]>>[H]-[#8]-[#6:14](-[#6:27])(-[#8:13])-[#6:30].[H]-[#8:15]-[#6:16]
EVODEX.1-Nm567 - Reaction Operator Nm
[#8:13]-[#6:14](-[#8:15]-[#6:16])(-[#6:27])-[#6:30]>>[H]-[#8]-[#6:14](-[#6:27])(-[#8:13])-[#6:30].[H]-[#8:15]-[#6:16]
Source Full Reactions
EVODEX.1-R5248
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[O:13][C@@:14]([O:15][C@@:16]2([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]3([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]3([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]2([O:37][H:73])[H:74])([C:38](=[O:39])[O:40][H:75])[C:41]([H:76])([H:77])[C@@:42]1([O:43][H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:44][H:84]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:45])[C@@:6]([C@:7]([O:8][H:46])([C@:9]([O:10][H:47])([C:11]([O:12][H:48])([H:49])[H:50])[H:51])[H:52])([H:53])[O:13][C@@:14]([C:38](=[O:39])[O:40][H:75])([O:44][H:84])[C:41]([H:76])([H:77])[C@@:42]1([O:43][H:78])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:15][C@@:16]1([H:54])[C@:17]([O:18][H:55])([H:56])[C@:19]([C:20]([O:21][H:57])([H:58])[H:59])([H:60])[O:22][C@:23]([O:24][C@@:25]2([H:61])[C@@:26]([O:27][H:62])([H:63])[C@:28]([O:29][H:64])([H:65])[C@@:30]([O:31][H:66])([H:67])[O:32][C@@:33]2([C:34]([O:35][H:68])([H:69])[H:70])[H:71])([H:72])[C@@:36]1([O:37][H:73])[H:74]