SMIRKS
[H][C:2]([C:1]([H:66])([H:67])[H:68])([C:3]([C:4]([C:5]([C:6]1:[C:7]([H:44]):[C:8]([C:9](=[C:10]2[N:11]=[C:12]([C:13]3:[C:14]([H:45]):[C:15]([H:46]):[C:16]([H:47]):[N:17]:3[H:48])[C:18]([H:49])=[C:19]2[O:20][C:21]([H:50])([H:51])[H:52])[H:53]):[N:22]([H:54]):[C:23]:1[C:24]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])[H:64].[H][C@:30]1([C@:28]([C@:26]([C:25]([H:81])([H:82])[H:83])([O:27][H:69])[H:80])([O:29][H:70])[H:79])[C:31]([H:72])([H:73])[N:32]([H:74])[C:33]2:[N:34]([H:75]):[C:35](=[N:36][H:76]):[N:37]([H:77]):[C:38](=[O:39]):[C:40]:2[N:41]1[H]>>[H]O[C:2]([C:1]([H:66])([H:67])[H:68])([C:3]([C:4]([C:5]([C:6]1:[C:7]([H:44]):[C:8]([C:9](=[C:10]2[N:11]=[C:12]([C:13]3:[C:14]([H:45]):[C:15]([H:46]):[C:16]([H:47]):[N:17]:3[H:48])[C:18]([H:49])=[C:19]2[O:20][C:21]([H:50])([H:51])[H:52])[H:53]):[N:22]([H:54]):[C:23]:1[C:24]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])[H:64].[C:25]([C@:26]([O:27][H:69])([C@:28]([O:29][H:70])([C:30]1=[N:41][C:40]2:[C:33](:[N:34]([H:75]):[C:35](=[N:36][H:76]):[N:37]([H:77]):[C:38]:2=[O:39])[N:32]([H:74])[C:31]1([H:72])[H:73])[H:79])[H:80])([H:81])([H:82])[H:83]
Derived Operators
EVODEX.1-M29 - Mass Difference
13.97924
EVODEX.1-E428 - Reaction Operator E
[#6:8]-[#6:9](-[#6:10])(-[H:63])-[H].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[#6:8]-[#6:9](-[#6:10])(-[#8]-[H])-[H:63].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-C219 - Reaction Operator C
[H]-[#6:2].[H]-[#6@:28]-[#7:39]-[H]>>[H]-[#8]-[#6:2].[#6:28]=[#7:39]
EVODEX.1-N196 - Reaction Operator N
[H]-[#6:2](-[#6:1])(-[#6:3])-[H:77].[H]-[#6@:28](-[#6@:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])(-[#6:3])-[H:77].[#6:28](-[#6@:26])(=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-Em278 - Reaction Operator Em
[H]-[#6:2](-[#6:1])-[#6:3].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29]
EVODEX.1-Cm197 - Reaction Operator Cm
[H]-[#6:2].[H]-[#6:28]-[#7:39]-[H]>>[#8]-[#6:2].[#6:28]=[#7:39]
EVODEX.1-Nm276 - Reaction Operator Nm
[H]-[#6:2](-[#6:1])-[#6:3].[H]-[#6:28](-[#6:26])(-[#6:29])-[#7:39](-[#6:38])-[H]>>[H]-[#8]-[#6:2](-[#6:1])-[#6:3].[#6:26]-[#6:28](=[#7:39]-[#6:38])-[#6:29]
Source Full Reactions
EVODEX.1-R535
[H][C:2]([C:1]([H:66])([H:67])[H:68])([C:3]([C:4]([C:5]([C:6]1:[C:7]([H:44]):[C:8]([C:9](=[C:10]2[N:11]=[C:12]([C:13]3:[C:14]([H:45]):[C:15]([H:46]):[C:16]([H:47]):[N:17]:3[H:48])[C:18]([H:49])=[C:19]2[O:20][C:21]([H:50])([H:51])[H:52])[H:53]):[N:22]([H:54]):[C:23]:1[C:24]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])[H:64].[H][C@:30]1([C@:28]([C@:26]([C:25]([H:81])([H:82])[H:83])([O:27][H:69])[H:80])([O:29][H:70])[H:79])[C:31]([H:72])([H:73])[N:32]([H:74])[C:33]2:[N:34]([H:75]):[C:35](=[N:36][H:76]):[N:37]([H:77]):[C:38](=[O:39]):[C:40]:2[N:41]1[H].[O:42]=[O:43]>>[H][O:42][C:2]([C:1]([H:66])([H:67])[H:68])([C:3]([C:4]([C:5]([C:6]1:[C:7]([H:44]):[C:8]([C:9](=[C:10]2[N:11]=[C:12]([C:13]3:[C:14]([H:45]):[C:15]([H:46]):[C:16]([H:47]):[N:17]:3[H:48])[C:18]([H:49])=[C:19]2[O:20][C:21]([H:50])([H:51])[H:52])[H:53]):[N:22]([H:54]):[C:23]:1[C:24]([H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])[H:64].[C:25]([C@:26]([O:27][H:69])([C@:28]([O:29][H:70])([C:30]1=[N:41][C:40]2:[C:33](:[N:34]([H:75]):[C:35](=[N:36][H:76]):[N:37]([H:77]):[C:38]:2=[O:39])[N:32]([H:74])[C:31]1([H:72])[H:73])[H:79])[H:80])([H:81])([H:82])[H:83].[H][O:43][H]