Ethanol → HCID 21889926, compound
Reaction equation
[CH3:14][c:15]1[cH:16][cH:17][s:18][c:19]1[C:20]([Cl:21])=[O:22].[CH3:23][c:24]1[c:25]([C:29](=[O:30])[N:31]=[C:32]=[S:33])[s:26][cH:27][cH:28]1.[CH3:34][O:35][c:36]1[cH:37][c:38]2[c:39]([O:48][c:49]3[cH:50][c:51]([F:56])[c:52]([NH2:53])[cH:54][cH:55]3)[cH:40][cH:41][n:42][c:43]2[cH:44][c:45]1[O:46][CH3:47].[CH3:57][CH2:58][OH:59].[CH3:5][c:6]1[cH:7][cH:8][s:9][c:10]1[C:11]([OH:12])=[O:13].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[CH3:23][c:24]1[c:25]([C:29](=[O:30])[NH:31][C:32](=[S:33])[NH:53][c:52]2[c:51]([F:56])[cH:50][c:49]([O:48][c:39]3[c:38]4[cH:37][c:36]([O:35][CH3:34])[c:45]([O:46][CH3:47])[cH:44][c:43]4[n:42][cH:41][cH:40]3)[cH:55][cH:54]2)[s:26][cH:27][cH:28]1Participants
8
Sources & evidence
- ORD record
- ord-9d8035ddebea41a6a5d8a6fcf2ab54e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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