SMIRKS
[C:1]([N:2]([C:3]([C:4]1:[C:5]([H:46]):[N:6]:[C:7]2:[N:8]:[C:9](=[N:10][H:47]):[N:11]([H:48]):[C:12]([N:13]([H:49])[H:50]):[C:14]:2:[N:15]:1)([H:51])[H:52])[C:16]1:[C:17]([H:53]):[C:18]([H:54]):[C:19]([C:20](=[O:21])[N:22]([C:23]([C:24]([C:25]([C:26](=[O:27])[O:28][H:55])([H:56])[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C:32]([C:33]([C:34]2:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:2[H:64])([H:65])[H:66])([C:40](=[O:41])[O:42][H:67])[H:68])[H:69])[H:70])[H:71]):[C:43]([H:72]):[C:44]:1[H:73])([H:74])([H:75])[H:76]>>[H]O[C:29]([C@@:23]([N:22]([C:20]([C:19]1:[C:18]([H:54]):[C:17]([H:53]):[C:16]([N:2]([C:1]([H:74])([H:75])[H:76])[C:3]([C:4]2:[C:5]([H:46]):[N:6]:[C:7]3:[N:8]:[C:9](=[N:10][H:47]):[N:11]([H:48]):[C:12]([N:13]([H:49])[H:50]):[C:14]:3:[N:15]:2)([H:51])[H:52]):[C:44]([H:73]):[C:43]:1[H:72])=[O:21])[H:71])([C:24]([C:25]([C:26](=[O:27])[O:28][H:55])([H:56])[H:57])([H:58])[H:59])[H:70])=[O:30].[H][N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40](=[O:41])[O:42][H:67])[H:68])[H:69]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E400 - Reaction Operator E
[#6:11]-[#6:13](-[#6:14])(-[#7:21](-[#6:22](=[#8:23])-[#6:24](-[#6:25])(-[#7:32])-[H:74])-[H:75])-[H:76]>>[#6:22](=[#8:23])(-[#6@:24](-[#6:25])(-[#7:32])-[H:74])-[#8]-[H].[#6:11]-[#6@:13](-[#6:14])(-[#7:21](-[H:75])-[H])-[H:76]
EVODEX.1-C915 - Reaction Operator C
[#6:9]-[#7:17]-[#6:18]-[#6:20]>>[H]-[#8]-[#6:18]-[#6@:20].[H]-[#7:17]-[#6@@:9]
EVODEX.1-N1145 - Reaction Operator N
[#6:7]-[#6:9](-[#6:10])(-[#7:17](-[#6:18](=[#8:19])-[#6:20](-[#6:21])(-[#7:28])-[H:143])-[H:144])-[H:145]>>[H]-[#8]-[#6:18](=[#8:19])-[#6@:20](-[#6:21])(-[#7:28])-[H:143].[H]-[#7:17](-[#6@@:9](-[#6:7])(-[#6:10])-[H:145])-[H:144]
EVODEX.1-Em50 - Reaction Operator Em
[#6:7]-[#7:8]-[#6:9](-[#6:10])=[#8:11]>>[H]-[#8]-[#6:9](-[#6:10])=[#8:11].[H]-[#7:8]-[#6:7]
EVODEX.1-Nm48 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#6:9]>>[H]-[#8]-[#6:7](=[#8:8])-[#6:9].[H]-[#7:6]-[#6:5]
Source Full Reactions
EVODEX.1-R5688
[C:1]([N:2]([C:3]([C:4]1:[C:5]([H:46]):[N:6]:[C:7]2:[N:8]:[C:9](=[N:10][H:47]):[N:11]([H:48]):[C:12]([N:13]([H:49])[H:50]):[C:14]:2:[N:15]:1)([H:51])[H:52])[C:16]1:[C:17]([H:53]):[C:18]([H:54]):[C:19]([C:20](=[O:21])[N:22]([C:23]([C:24]([C:25]([C:26](=[O:27])[O:28][H:55])([H:56])[H:57])([H:58])[H:59])([C:29](=[O:30])[N:31]([C:32]([C:33]([C:34]2:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:2[H:64])([H:65])[H:66])([C:40](=[O:41])[O:42][H:67])[H:68])[H:69])[H:70])[H:71]):[C:43]([H:72]):[C:44]:1[H:73])([H:74])([H:75])[H:76].[H][O:45][H:77]>>[C:1]([N:2]([C:3]([C:4]1:[C:5]([H:46]):[N:6]:[C:7]2:[N:8]:[C:9](=[N:10][H:47]):[N:11]([H:48]):[C:12]([N:13]([H:49])[H:50]):[C:14]:2:[N:15]:1)([H:51])[H:52])[C:16]1:[C:17]([H:53]):[C:18]([H:54]):[C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[O:28][H:55])([H:56])[H:57])([H:58])[H:59])([C:29](=[O:30])[O:45][H:77])[H:70])[H:71]):[C:43]([H:72]):[C:44]:1[H:73])([H:74])([H:75])[H:76].[H][N:31]([C@@:32]([C:33]([C:34]1:[C:35]([H:60]):[C:36]([H:61]):[C:37]([H:62]):[C:38]([H:63]):[C:39]:1[H:64])([H:65])[H:66])([C:40](=[O:41])[O:42][H:67])[H:68])[H:69]