SMIRKS
[H][O:19][C:18]1:[C:16]([O:17][H:66]):[C:15]2:[O:14]:[C:5]([C:6]3:[C:7]([H:61]):[C:8]([H:62]):[C:9]([O:10][H:63]):[C:11]([O:12][H:64]):[C:13]:3[H:65]):[C:3]([O:4][H:60]):[C:2](=[O:1]):[C:23]:2:[C:21]([O:22][H:69]):[C:20]:1[H:68]>>[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([O:19][C:18]2:[C:16]([O:17][H:66]):[C:15]3:[O:14]:[C:5]([C:6]4:[C:7]([H:61]):[C:8]([H:62]):[C:9]([O:10][H:63]):[C:11]([O:12][H:64]):[C:13]:4[H:65]):[C:3]([O:4][H:60]):[C:2](=[O:1]):[C:23]:3:[C:21]([O:22][H:69]):[C:20]:2[H:68])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F44 - Elemental Balance
| O | 5 |
| C | 6 |
| H | 10 |
EVODEX.1-M15 - Mass Difference
162.0528
EVODEX.1-E525 - Reaction Operator E
[#8:4](-[#6@@:3])-[H]>>[#8:4](-[#6@@:3])-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]
EVODEX.1-C24 - Reaction Operator C
[H]-[#8:20]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6](-[H])(-[#8:20])-[#6@@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N9 - Reaction Operator N
[H]-[#8:48]-[#6@:47]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#8:48]-[#6@:47])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
Source Full Reactions
EVODEX.1-R3087
[H][O:19][C:18]1:[C:16]([O:17][H:66]):[C:15]2:[O:14]:[C:5]([C:6]3:[C:7]([H:61]):[C:8]([H:62]):[C:9]([O:10][H:63]):[C:11]([O:12][H:64]):[C:13]:3[H:65]):[C:3]([O:4][H:60]):[C:2](=[O:1]):[C:23]:2:[C:21]([O:22][H:69]):[C:20]:1[H:68].[O:24]=[C:25]1:[C:26]([H:70]):[C:27]([H:71]):[N:28]([C@:29]2([H:72])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:73])[O:37][P:38](=[O:39])([O:40][H:74])[O:41][C@@:42]3([H:75])[O:43][C@@:44]([C:45]([O:46][H:76])([H:77])[H:78])([H:79])[C@:47]([O:48][H:80])([H:81])[C@@:49]([O:50][H:82])([H:83])[C@:51]3([O:52][H:84])[H:85])([H:86])[H:87])([H:88])[C@:53]([O:54][H:89])([H:90])[C@:55]2([O:56][H:91])[H:92]):[C:57](=[O:58]):[N:59]:1[H:93]>>[O:1]=[C:2]1:[C:3]([O:4][H:60]):[C:5]([C:6]2:[C:7]([H:61]):[C:8]([H:62]):[C:9]([O:10][H:63]):[C:11]([O:12][H:64]):[C:13]:2[H:65]):[O:14]:[C:15]2:[C:16]([O:17][H:66]):[C:18]([O:19][C@:42]3([H:75])[O:43][C@@:44]([C:45]([O:46][H:76])([H:77])[H:78])([H:79])[C@:47]([O:48][H:80])([H:81])[C@@:49]([O:50][H:82])([H:83])[C@:51]3([O:52][H:84])[H:85]):[C:20]([H:68]):[C:21]([O:22][H:69]):[C:23]:1:2.[H][O:41][P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:88])[O:30][C@:29]([N:28]2:[C:27]([H:71]):[C:26]([H:70]):[C:25](=[O:24]):[N:59]([H:93]):[C:57]:2=[O:58])([H:72])[C@@:55]([O:56][H:91])([H:92])[C@@:53]1([O:54][H:89])[H:90])([H:86])[H:87])(=[O:35])[O:36][H:73])(=[O:39])[O:40][H:74]