SMIRKS
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:52]):[N:8]:2[C@:9]2([H:53])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:54])[O:17][P:18](=[O:19])([O:20][H:55])[O:21][P:22](=[O:23])([O:24][H:56])[O:25][H:57])([H:58])[H:59])([H:60])[C@:26]([O:27][H:61])([H:62])[C@:28]2([O:29][H:63])[H:64]):[C:30](=[O:31]):[N:32]:1[H:65])([H:66])[H:67]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:60])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:66])[H:67]):[N:32]([H:65]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:52])([H:53])[C@@:28]([O:29][H:63])([H:64])[C@@:26]1([O:27][H:61])[H:62])([H:58])[H:59])(=[O:15])[O:16][H:54])(=[O:19])[O:20][H:55].[H]O[C@@]1([H])C([H])([H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:22](=[O:23])([O:24][H:56])[O:25][H:57]
Derived Operators
EVODEX.1-F68 - Elemental Balance
| O | 4 |
| C | 10 |
| N | 5 |
| H | 13 |
EVODEX.1-M104 - Mass Difference
267.09689000000003
EVODEX.1-E615 - Reaction Operator E
[#8:20]=[#15:21](-[#8:22])(-[#8:23])-[#8:24]-[#15:25]>>[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@@]2(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15:21](=[#8:20])(-[#8:22])-[#8:23])(-[H])-[H])(-[H])-[#8]-2):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#8:24](-[#15:25])-[H]
EVODEX.1-C973 - Reaction Operator C
([#8:45]-[#15:46].[#6@:30]-[#6@:36])>>[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:46].([H]-[#8:45].[#6@@:36]-[#6@@:30])
EVODEX.1-N1321 - Reaction Operator N
([#15:18]-[#8:21]-[#15:22](=[#8:23])(-[#8:24])-[#8:25].[#8:27]-[#6@@:26](-[#6@@:11])(-[H:62])-[#6@:28](-[#6@:9])(-[#8:29])-[H:64])>>([H]-[#8:21]-[#15:18].[#8:29]-[#6@:28](-[#6@:9])(-[H:64])-[#6@@:26](-[#6@@:11])(-[#8:27])-[H:62]).[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:22](=[#8:23])(-[#8:24])-[#8:25]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R3895
[N:1]([C:2]1:[N:3]:[C:4]2:[C:5](:[N:6]:[C:7]([H:52]):[N:8]:2[C@:9]2([H:53])[O:10][C@@:11]([C:12]([O:13][P:14](=[O:15])([O:16][H:54])[O:17][P:18](=[O:19])([O:20][H:55])[O:21][P:22](=[O:23])([O:24][H:56])[O:25][H:57])([H:58])[H:59])([H:60])[C@:26]([O:27][H:61])([H:62])[C@:28]2([O:29][H:63])[H:64]):[C:30](=[O:31]):[N:32]:1[H:65])([H:66])[H:67].[H][O:47][C:46]([C@:45]1([H:77])[C@:43]([O:44][H:72])([H:73])[C:42]([H:70])([H:71])[C@@:41]([N:40]2:[C:36]3:[N:35]:[C:34]([N:33]([H:79])[H:80]):[N:51]([H:78]):[C:49](=[O:50]):[C:37]:3:[N:38]:[C:39]:2[H:68])([H:69])[O:48]1)([H:75])[H:76]>>[H][O:21][P:18]([O:17][P:14]([O:13][C:12]([C@@:11]1([H:60])[O:10][C@:9]([N:8]2:[C:4]3:[N:3]:[C:2]([N:1]([H:66])[H:67]):[N:32]([H:65]):[C:30](=[O:31]):[C:5]:3:[N:6]:[C:7]:2[H:52])([H:53])[C@@:28]([O:29][H:63])([H:64])[C@@:26]1([O:27][H:61])[H:62])([H:58])[H:59])(=[O:15])[O:16][H:54])(=[O:19])[O:20][H:55].[P:22](=[O:23])([O:24][H:56])([O:25][H:57])[O:47][C:46]([C@:45]1([H:77])[C@:43]([O:44][H:72])([H:73])[C:42]([H:70])([H:71])[C@@:41]([N:40]2:[C:36]3:[N:35]:[C:34]([N:33]([H:79])[H:80]):[N:51]([H:78]):[C:49](=[O:50]):[C:37]:3:[N:38]:[C:39]:2[H:68])([H:69])[O:48]1)([H:75])[H:76]