Ethanol → HCID 14839450, compound
Reaction equation
[CH3:11][CH2:12][OH:13].[CH:14]1([NH:19][c:20]2[c:21]([CH2:22][S:23][c:24]3[nH:25][c:26]4[c:27]([n:28][cH:29][cH:30][cH:31]4)[n:32]3)[cH:33][cH:34][cH:35][cH:36]2)[CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:48]([Cl:49])([Cl:50])[Cl:51].[Cl:37][c:38]1[cH:39][cH:40][cH:41][c:42]([C:43]([O:44][OH:45])=[O:46])[cH:47]1.[SH:1][c:2]1[nH:3][c:4]2[c:5]([n:6]1)[n:7][cH:8][cH:9][cH:10]2>>[O:13]=[S:23]([CH2:22][c:21]1[c:20]([NH:19][CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:36][cH:35][cH:34][cH:33]1)[c:24]1[nH:25][c:26]2[c:27]([n:28][cH:29][cH:30][cH:31]2)[n:32]1Participants
6
Sources & evidence
- ORD record
- ord-4b3d6abd69f74178a0499032589325a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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