SMIRKS
[O:1]=[C:2]1:[C:3]([O:4][C@:5]2([H:60])[O:6][C@@:7]([C:8]([O:9][H:61])([H:62])[H:63])([H:64])[C@@:10]([O:11][H:65])([H:66])[C@@:12]([O:13][H:67])([H:68])[C@:14]2([O:15][H:69])[H:70]):[C:16]([C:17]2:[C:18]([H:71]):[C:19]([O:20][H:72]):[C:21]([O:22][H:73]):[C:23]([O:24][H:74]):[C:25]:2[H:75]):[O:26]:[C:27]2:[C:28]([H:76]):[C:29]([O:30][H:77]):[C:31]([H:78]):[C:32]([O:33][H:79]):[C:34]:1:2>>[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])OP(=O)(O[H])O[C@@:5]1([H:60])[O:6][C@@:7]([C:8]([O:9][H:61])([H:62])[H:63])([H:64])[C@@:10]([O:11][H:65])([H:66])[C@@:12]([O:13][H:67])([H:68])[C@:14]1([O:15][H:69])[H:70].[H][O:4][C:3]1:[C:2](=[O:1]):[C:34]2:[C:27](:[O:26]:[C:16]:1[C:17]1:[C:18]([H:71]):[C:19]([O:20][H:72]):[C:21]([O:22][H:73]):[C:23]([O:24][H:74]):[C:25]:1[H:75]):[C:28]([H:76]):[C:29]([O:30][H:77]):[C:31]([H:78]):[C:32]:2[O:33][H:79]
Derived Operators
EVODEX.1-F397 - Elemental Balance
| P | 2 |
| O | 12 |
| C | 9 |
| N | 2 |
| H | 14 |
EVODEX.1-M393 - Mass Difference
404.00222
EVODEX.1-E1202 - Reaction Operator E
[#8:35](-[#6@:34])-[#6:36](-[H:94])(-[#8:37])-[#6@:45]>>[#8](-[#6@@:36](-[H:94])(-[#8:37])-[#6@:45])-[#15](-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H])(=[#8])-[#8]-[H].[#8:35](-[#6@:34])-[H]
EVODEX.1-C869 - Reaction Operator C
[#8:18]-[#6@:19]>>[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](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:18]
EVODEX.1-N1091 - Reaction Operator N
[#6:17]-[#8:18]-[#6@:19](-[H:66])(-[#8:20])-[#6@:28]>>[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](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:66])(-[#8:20])-[#6@:28].[H]-[#8:18]-[#6:17]
EVODEX.1-Em61 - Reaction Operator Em
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
EVODEX.1-Nm73 - Reaction Operator Nm
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
Source Full Reactions
EVODEX.1-R3083
[O:1]=[C:2]1:[C:3]([O:4][C@:5]2([H:60])[O:6][C@@:7]([C:8]([O:9][H:61])([H:62])[H:63])([H:64])[C@@:10]([O:11][H:65])([H:66])[C@@:12]([O:13][H:67])([H:68])[C@:14]2([O:15][H:69])[H:70]):[C:16]([C:17]2:[C:18]([H:71]):[C:19]([O:20][H:72]):[C:21]([O:22][H:73]):[C:23]([O:24][H:74]):[C:25]:2[H:75]):[O:26]:[C:27]2:[C:28]([H:76]):[C:29]([O:30][H:77]):[C:31]([H:78]):[C:32]([O:33][H:79]):[C:34]:1:2.[H][O:51][P:49]([O:48][P:45]([O:44][C:43]([C@@:42]1([H:88])[O:41][C@:40]([N:39]2:[C:38]([H:81]):[C:37]([H:80]):[C:36](=[O:35]):[N:59]([H:93]):[C:57]:2=[O:58])([H:82])[C@@:55]([O:56][H:91])([H:92])[C@@:53]1([O:54][H:89])[H:90])([H:86])[H:87])(=[O:46])[O:47][H:83])(=[O:50])[O:52][H:85]>>[C@:5]1([O:51][P:49]([O:48][P:45]([O:44][C:43]([C@@:42]2([H:88])[O:41][C@:40]([N:39]3:[C:38]([H:81]):[C:37]([H:80]):[C:36](=[O:35]):[N:59]([H:93]):[C:57]:3=[O:58])([H:82])[C@@:55]([O:56][H:91])([H:92])[C@@:53]2([O:54][H:89])[H:90])([H:86])[H:87])(=[O:46])[O:47][H:83])(=[O:50])[O:52][H:85])([H:60])[O:6][C@@:7]([C:8]([O:9][H:61])([H:62])[H:63])([H:64])[C@@:10]([O:11][H:65])([H:66])[C@@:12]([O:13][H:67])([H:68])[C@:14]1([O:15][H:69])[H:70].[H][O:4][C:3]1:[C:2](=[O:1]):[C:34]2:[C:27](:[O:26]:[C:16]:1[C:17]1:[C:18]([H:71]):[C:19]([O:20][H:72]):[C:21]([O:22][H:73]):[C:23]([O:24][H:74]):[C:25]:1[H:75]):[C:28]([H:76]):[C:29]([O:30][H:77]):[C:31]([H:78]):[C:32]:2[O:33][H:79]