Ethanol → HCID 21890367, compound
Reaction equation
[C:19]([Cl:20])(=[O:21])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[C:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])(=[O:45])[N:46]=[C:47]=[S:48].[CH3:49][O:50][c:51]1[cH:52][c:53]2[c:54]([O:63][c:64]3[cH:65][c:66]([F:71])[c:67]([NH2:68])[cH:69][cH:70]3)[cH:55][cH:56][n:57][c:58]2[cH:59][c:60]1[O:61][CH3:62].[CH3:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[OH:18].[CH3:72][CH2:73][OH:74].[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[C:33]([CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44])(=[O:45])[NH:46][C:47](=[S:48])[NH:68][c:67]1[c:66]([F:71])[cH:65][c:64]([O:63][c:54]2[c:53]3[cH:52][c:51]([O:50][CH3:49])[c:60]([O:61][CH3:62])[cH:59][c:58]3[n:57][cH:56][cH:55]2)[cH:70][cH:69]1Participants
8
Sources & evidence
- ORD record
- ord-8395a4a497d04233a05ab7a74449d256
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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