SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63].[H][N:9]([C@@:8]([C:7]([C:6]([O:5][N:4]([C:2](=[N:1][H:84])[N:3]([H:73])[H:74])[H:83])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75]>>[H]N([H])C([H])([H])C([H])([H])C(=O)[N:9]([C@@:8]([C:7]([C:6]([O:5][N:4]([C:2](=[N:1][H:84])[N:3]([H:73])[H:74])[H:83])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75].[H][O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63]
Derived Operators
EVODEX.1-F450 - Elemental Balance
| P | -1 |
| O | -5 |
| C | -7 |
| N | -4 |
| H | -7 |
EVODEX.1-M433 - Mass Difference
-258.01550999999995
EVODEX.1-E1259 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:37]-[#15:38])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H].[#7:9](-[#6@:8])(-[H:75])-[H]>>[#7:9](-[#6@:8])(-[#6](-[#6](-[#6](-[#7](-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:75].[#8:37](-[#15:38])-[H]
EVODEX.1-C1027 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:37].[H]-[#7:9]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:9].[H]-[#8:37]
EVODEX.1-N1281 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:37]-[#15:38].[H]-[#7:9](-[#6@@:8])-[H:75]>>[H]-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:9](-[#6@@:8])-[H:75].[H]-[#8:37]-[#15:38]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
Source Full Reactions
EVODEX.1-R7585
[N:13]([C:14]([C:15]([C:16](=[O:17])[O:18][H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56].[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[H][N:9]([C@@:8]([C:7]([C:6]([O:5][N:4]([C:2](=[N:1][H:84])[N:3]([H:73])[H:74])[H:83])([H:81])[H:82])([H:79])[H:80])([C:10](=[O:11])[O:12][H:77])[H:78])[H:75]>>[N:1](=[C:2]([N:3]([H:73])[H:74])[N:4]([O:5][C:6]([C:7]([C@:8]([N:9]([C:16]([C:15]([C:14]([N:13]([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])=[O:17])[H:75])([C:10](=[O:11])[O:12][H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83])[H:84].[O:18]([P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])[H:50].[H][O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63]