SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:15](=[O:16])([O:17][H:55])[O:18][P:19](=[O:20])([O:21][H:56])[O:22][H:57].[H][O:30][C:31]([C@@:32]1([H:66])[O:33][C:34]([C:35]2:[N:36]:[C:37]([N:38]([F:39])[F:40]):[C:41]3:[N:42]([H:67]):[C:43]([H:68]):[N:44]:[C:45]:3:[N:46]:2)([H:69])[C@:47]([O:48][H:70])([H:71])[C@@:49]1([O:50][H:72])[H:73])([H:74])[H:75]>>[P:15](=[O:16])([O:17][H:55])([O:18][P:19](=[O:20])([O:21][H:56])[O:22][H:57])[O:30][C:31]([C@@:32]1([H:66])[O:33][C:34]([C:35]2:[N:36]:[C:37]([N:38]([F:39])[F:40]):[C:41]3:[N:42]([H:67]):[C:43]([H:68]):[N:44]:[C:45]:3:[N:46]:2)([H:69])[C@:47]([O:48][H:70])([H:71])[C@@:49]1([O:50][H:72])[H:73])([H:74])[H:75]
Derived Operators
EVODEX.1-F293 - Elemental Balance
| P | -1 |
| O | -9 |
| C | -9 |
| N | -2 |
| H | -13 |
EVODEX.1-M144 - Mass Difference
-324.03589
EVODEX.1-E1059 - Reaction Operator E
[#6:34]-[#8:35]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:54](=[#8:55])(-[#8:56])-[#8:57])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:34]-[#8:35]-[#15:54](=[#8:55])(-[#8:56])-[#8:57]
EVODEX.1-C1091 - Reaction Operator C
[H]-[#8:13].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:33]>>[#8:13]-[#15:33]
EVODEX.1-N1338 - Reaction Operator N
[H]-[#8:13]-[#6:12].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:33](=[#8:34])(-[#8:35])-[#8:36]>>[#6:12]-[#8:13]-[#15:33](=[#8:34])(-[#8:35])-[#8:36]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R4116
[O:1]=[C:2]1:[C:3]([H:51]):[C:4]([H:52]):[N:5]([C@:6]2([H:53])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:54])[O:14][P:15](=[O:16])([O:17][H:55])[O:18][P:19](=[O:20])([O:21][H:56])[O:22][H:57])([H:58])[H:59])([H:60])[C@:23]([O:24][H:61])([H:62])[C@:25]2([O:26][H:63])[H:64]):[C:27](=[O:28]):[N:29]:1[H:65].[H][O:30][C:31]([C@@:32]1([H:66])[O:33][C:34]([C:35]2:[N:36]:[C:37]([N:38]([F:39])[F:40]):[C:41]3:[N:42]([H:67]):[C:43]([H:68]):[N:44]:[C:45]:3:[N:46]:2)([H:69])[C@:47]([O:48][H:70])([H:71])[C@@:49]1([O:50][H:72])[H:73])([H:74])[H:75]>>[H][O:14][P:11]([O:10][C:9]([C@@:8]1([H:60])[O:7][C@:6]([N:5]2:[C:4]([H:52]):[C:3]([H:51]):[C:2](=[O:1]):[N:29]([H:65]):[C:27]:2=[O:28])([H:53])[C@@:25]([O:26][H:63])([H:64])[C@@:23]1([O:24][H:61])[H:62])([H:58])[H:59])(=[O:12])[O:13][H:54].[P:15](=[O:16])([O:17][H:55])([O:18][P:19](=[O:20])([O:21][H:56])[O:22][H:57])[O:30][C:31]([C@@:32]1([H:66])[O:33][C:34]([C:35]2:[N:36]:[C:37]([N:38]([F:39])[F:40]):[C:41]3:[N:42]([H:67]):[C:43]([H:68]):[N:44]:[C:45]:3:[N:46]:2)([H:69])[C@:47]([O:48][H:70])([H:71])[C@@:49]1([O:50][H:72])[H:73])([H:74])[H:75]