Ethanol → HCID 13371680, compound
Reaction equation
[CH3:30][CH2:31][OH:32].[Cl:1][c:2]1[n:3][c:4]2[c:5]([N:24]3[CH2:25][CH2:26][S:27][CH2:28][CH2:29]3)[n:6][c:7]([N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[n:8][c:9]2[n:10][c:11]1[N:12]1[CH2:13][CH2:14][S:15][CH2:16][CH2:17]1>>[c:2]1([O:32][CH2:31][CH3:30])[n:3][c:4]2[c:5]([N:24]3[CH2:25][CH2:26][S:27][CH2:28][CH2:29]3)[n:6][c:7]([N:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[n:8][c:9]2[n:10][c:11]1[N:12]1[CH2:13][CH2:14][S:15][CH2:16][CH2:17]1Participants
3
Sources & evidence
- ORD record
- ord-05dc63cf95a5468b96eae923f56e8bac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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