Ethanol → HCID 21890170, compound
Reaction equation
[C:21]([Cl:22])(=[O:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[C:37]([CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])(=[O:51])[N:52]=[C:53]=[S:54].[C:5]([OH:6])(=[O:7])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[CH3:55][O:56][c:57]1[cH:58][c:59]2[c:60]([O:69][c:70]3[cH:71][cH:72][c:73]([NH2:74])[cH:75][cH:76]3)[cH:61][cH:62][n:63][c:64]2[cH:65][c:66]1[O:67][CH3:68].[CH3:77][CH2:78][OH:79].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[C:37]([CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])(=[O:51])[NH:52][C:53](=[S:54])[NH:74][c:73]1[cH:72][cH:71][c:70]([O:69][c:60]2[c:59]3[cH:58][c:57]([O:56][CH3:55])[c:66]([O:67][CH3:68])[cH:65][c:64]3[n:63][cH:62][cH:61]2)[cH:76][cH:75]1Participants
8
Sources & evidence
- ORD record
- ord-4ee29d08caab4cb5a99e6fe2e4ebf442
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…