SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C@:11]1([H:43])[O:12][C@@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[C@:16]([O:17][P:18](=[O:19])([O:20][H:48])[O:21][C:22]([C@@:23]2([H:49])[O:24][C@:25]([N:26]3:[C:27]([H:50]):[C:28]([H:51]):[C:29](=[O:30]):[N:31]([H:52]):[C:32]:3=[O:33])([H:53])[C@@:34]([O:35][H:54])([H:55])[C@@:36]2([O:37][H:56])[H:57])([H:58])[H:59])([H:60])[C@:38]1([O:39][H:61])[H:62])([H:63])[H:64]>>[H]O[C@:16]1([H:60])[C@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:41]):[N:3]:[C:2]([N:1]([H:63])[H:64]):[C:7]:3:[N:8]:[C:9]:2[H:42])([H:43])[C@@:38]1([O:39][H:61])[H:62].[H][O:17][P:18](=[O:19])([O:20][H:48])[O:21][C:22]([C@@:23]1([H:49])[O:24][C@:25]([N:26]2:[C:27]([H:50]):[C:28]([H:51]):[C:29](=[O:30]):[N:31]([H:52]):[C:32]:2=[O:33])([H:53])[C@@:34]([O:35][H:54])([H:55])[C@@:36]1([O:37][H:56])[H:57])([H:58])[H:59]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E361 - Reaction Operator E
[#6:6]-[#6@@:7](-[#8:8]-[#15:9])(-[H:45])-[#6@:23]>>[#6:6]-[#6@@:7](-[#8]-[H])(-[H:45])-[#6@:23].[#8:8](-[#15:9])-[H]
EVODEX.1-C1113 - Reaction Operator C
[#8:16]-[#6@@:15](-[#6@@:8])-[#6@:21]>>[H]-[#8]-[#6@:15](-[#6@:8])-[#6@@:21].[H]-[#8:16]
EVODEX.1-N1370 - Reaction Operator N
[#8:7]1-[#6@:6]-[#6@@:21](-[#6@@:15](-[#6@:8]-1(-[#6:9])-[H:34])(-[#8:16]-[#15:17])-[H:37])(-[#8:22])-[H:39]>>[H]-[#8]-[#6@:15]1(-[H:37])-[#6@:8](-[#6:9])(-[H:34])-[#8:7]-[#6@:6]-[#6@@:21]-1(-[#8:22])-[H:39].[H]-[#8:16]-[#15:17]
EVODEX.1-Em619 - Reaction Operator Em
[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]
EVODEX.1-Nm554 - Reaction Operator Nm
[#6:8]-[#6:15](-[#8:16]-[#15:17])-[#6:21]>>[H]-[#8]-[#6:15](-[#6:8])-[#6:21].[H]-[#8:16]-[#15:17]
Source Full Reactions
EVODEX.1-R5011
[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C@:11]1([H:43])[O:12][C@@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[C@:16]([O:17][P:18](=[O:19])([O:20][H:48])[O:21][C:22]([C@@:23]2([H:49])[O:24][C@:25]([N:26]3:[C:27]([H:50]):[C:28]([H:51]):[C:29](=[O:30]):[N:31]([H:52]):[C:32]:3=[O:33])([H:53])[C@@:34]([O:35][H:54])([H:55])[C@@:36]2([O:37][H:56])[H:57])([H:58])[H:59])([H:60])[C@:38]1([O:39][H:61])[H:62])([H:63])[H:64].[H][O:40][H:65]>>[N:1]([C:2]1:[N:3]:[C:4]([H:41]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:42]):[N:10]:2[C@:11]1([H:43])[O:12][C@@:13]([C:14]([O:15][H:44])([H:45])[H:46])([H:47])[C@:16]([O:40][H:65])([H:60])[C@:38]1([O:39][H:61])[H:62])([H:63])[H:64].[H][O:17][P:18](=[O:19])([O:20][H:48])[O:21][C:22]([C@@:23]1([H:49])[O:24][C@:25]([N:26]2:[C:27]([H:50]):[C:28]([H:51]):[C:29](=[O:30]):[N:31]([H:52]):[C:32]:2=[O:33])([H:53])[C@@:34]([O:35][H:54])([H:55])[C@@:36]1([O:37][H:56])[H:57])([H:58])[H:59]