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:9]([C:8](=[C:7]([C:6]2:[C:5]([H:73]):[C:4]([H:72]):[C:3]([O:2][C:1]([H:113])([H:114])[H:115]):[C:60]([O:61][H:112]):[C:59]:2[H:111])[H:110])[H:109])=[O:10])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][N:62]([C:63]1:[C:64]([H:116]):[C:65]([H:117]):[C:66]([H:118]):[C:67]([H:119]):[C:68]:1[C:69](=[O:70])[O:71][H:120])[H:121]>>[C:1]([O:2][C:3]1:[C:4]([H:72]):[C:5]([H:73]):[C:6]([C:7](=[C:8]([C:9](=[O:10])[N:62]([C:63]2:[C:64]([H:116]):[C:65]([H:117]):[C:66]([H:118]):[C:67]([H:119]):[C:68]:2[C:69](=[O:70])[O:71][H:120])[H:121])[H:109])[H:110]):[C:59]([H:111]):[C:60]:1[O:61][H:112])([H:113])([H:114])[H:115]
Derived Operators
EVODEX.1-F49 - Elemental Balance
| P | -3 |
| O | -16 |
| C | -21 |
| S | -1 |
| N | -7 |
| H | -36 |
EVODEX.1-M7 - Mass Difference
-767.1154799999999
EVODEX.1-C32 - 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]-[#6:14])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#7:83]>>[#6:14]-[#7:83]
EVODEX.1-N10 - 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]-[#6:14](-[#6:13])=[#8:15])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#7:83](-[#6:82])-[H:189]>>[#6:13]-[#6:14](=[#8:15])-[#7:83](-[#6:82])-[H:189]
EVODEX.1-Em436 - Reaction Operator Em
[#6]-[#16]-[#6:49](=[#8:50])-[#6:51]=[#6:52].[H]-[#7:69]-[#6:68]>>[#6:49](=[#8:50])(-[#6:51]=[#6:52])-[#7:69]-[#6:68]
EVODEX.1-Nm55 - Reaction Operator Nm
[#6]-[#16]-[#6:14](-[#6:13])=[#8:15].[H]-[#7:83]-[#6:82]>>[#6:13]-[#6:14](=[#8:15])-[#7:83]-[#6:82]
Source Full Reactions
EVODEX.1-R2067
[C:1]([O:2][C:3]1:[C:4]([H:72]):[C:5]([H:73]):[C:6]([C:7](=[C:8]([C:9](=[O:10])[S:11][C:12]([C:13]([N:14]([C:15](=[O:16])[C:17]([C:18]([N:19]([C:20](=[O:21])[C@:22]([O:23][H:74])([C:24]([C:25]([H:75])([H:76])[H:77])([C:26]([H:78])([H:79])[H:80])[C:27]([O:28][P:29](=[O:30])([O:31][H:81])[O:32][P:33](=[O:34])([O:35][H:82])[O:36][C:37]([C@@:38]2([H:83])[O:39][C@:40]([N:41]3:[C:42]([H:84]):[N:43]:[C:44]4:[C:45]([N:46]([H:85])[H:86]):[N:47]:[C:48]([H:87]):[N:49]:[C:50]:3:4)([H:88])[C@@:51]([O:52][H:89])([H:90])[C@@:53]2([O:54][P:55](=[O:56])([O:57][H:91])[O:58][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:107])[H:108])[H:109])[H:110]):[C:59]([H:111]):[C:60]:1[O:61][H:112])([H:113])([H:114])[H:115].[H][N:62]([C:63]1:[C:64]([H:116]):[C:65]([H:117]):[C:66]([H:118]):[C:67]([H:119]):[C:68]:1[C:69](=[O:70])[O:71][H:120])[H:121]>>[C:1]([O:2][C:3]1:[C:4]([H:72]):[C:5]([H:73]):[C:6]([C:7](=[C:8]([C:9](=[O:10])[N:62]([C:63]2:[C:64]([H:116]):[C:65]([H:117]):[C:66]([H:118]):[C:67]([H:119]):[C:68]:2[C:69](=[O:70])[O:71][H:120])[H:121])[H:109])[H:110]):[C:59]([H:111]):[C:60]:1[O:61][H:112])([H:113])([H:114])[H:115].[H][S:11][C:12]([C:13]([N:14]([C:15](=[O:16])[C:17]([C:18]([N:19]([C:20](=[O:21])[C@:22]([O:23][H:74])([C:24]([C:25]([H:75])([H:76])[H:77])([C:26]([H:78])([H:79])[H:80])[C:27]([O:28][P:29](=[O:30])([O:31][H:81])[O:32][P:33](=[O:34])([O:35][H:82])[O:36][C:37]([C@@:38]1([H:83])[O:39][C@:40]([N:41]2:[C:42]([H:84]):[N:43]:[C:44]3:[C:45]([N:46]([H:85])[H:86]):[N:47]:[C:48]([H:87]):[N:49]:[C:50]:2:3)([H:88])[C@@:51]([O:52][H:89])([H:90])[C@@:53]1([O:54][P:55](=[O:56])([O:57][H:91])[O:58][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:107])[H:108]