SMIRKS
[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:104])([H:105])[H:106])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])=[O:7])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H]OP(=O)(O[H])O[C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:104])([H:105])[H:106])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])([H:96])[H:97])=[O:7]
Derived Operators
EVODEX.1-F341 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -33 |
EVODEX.1-M148 - Mass Difference
-669.1385899999999
EVODEX.1-E1128 - Reaction Operator E
[#6:5]-[#6:6](=[#8:7])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:5]-[#6:6](=[#8:7])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-C308 - Reaction Operator C
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:6])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6]
EVODEX.1-N354 - Reaction Operator N
[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:6](-[#6:5])=[#8:7])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6](-[#6:5])=[#8:7]
EVODEX.1-Em448 - Reaction Operator Em
[#6]-[#16]-[#6:6](-[#6:5])=[#8:7]>>[#15]-[#8]-[#6:6](-[#6:5])=[#8:7]
EVODEX.1-Nm401 - Reaction Operator Nm
[#6]-[#16]-[#6:6](-[#6:5])=[#8:7]>>[#15]-[#8]-[#6:6](-[#6:5])=[#8:7]
Source Full Reactions
EVODEX.1-R2189
[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:61])([C:21]([C:22]([H:62])([H:63])[H:64])([C:23]([H:65])([H:66])[H:67])[C:24]([O:25][P:26](=[O:27])([O:28][H:68])[O:29][P:30](=[O:31])([O:32][H:69])[O:33][C:34]([C@@:35]1([H:70])[O:36][C@:37]([N:38]2:[C:39]([H:71]):[N:40]:[C:41]3:[C:42]([N:43]([H:72])[H:73]):[N:44]:[C:45]([H:74]):[N:46]:[C:47]:2:3)([H:75])[C@@:48]([O:49][H:76])([H:77])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:78])[O:55][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])([H:105])[H:106].[H][O:58][P:57](=[O:56])([O:59][H:108])[O:60][H:109]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6](=[O:7])[O:58][P:57](=[O:56])([O:59][H:108])[O:60][H:109])([H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])([H:105])[H:106].[H][S:8][C:9]([C:10]([N:11]([C:12](=[O:13])[C:14]([C:15]([N:16]([C:17](=[O:18])[C@:19]([O:20][H:61])([C:21]([C:22]([H:62])([H:63])[H:64])([C:23]([H:65])([H:66])[H:67])[C:24]([O:25][P:26](=[O:27])([O:28][H:68])[O:29][P:30](=[O:31])([O:32][H:69])[O:33][C:34]([C@@:35]1([H:70])[O:36][C@:37]([N:38]2:[C:39]([H:71]):[N:40]:[C:41]3:[C:42]([N:43]([H:72])[H:73]):[N:44]:[C:45]([H:74]):[N:46]:[C:47]:2:3)([H:75])[C@@:48]([O:49][H:76])([H:77])[C@@:50]1([O:51][P:52](=[O:53])([O:54][H:78])[O:55][H:79])[H:80])([H:81])[H:82])([H:83])[H:84])[H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:91])([H:92])[H:93])([H:94])[H:95]