Ethanol → HCID 178442123, compound
Reaction equation
[CH3:54][CH2:55][OH:56].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[IH:37].[NH2:10][CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[NH:26][CH2:27][CH:28]([OH:29])[c:30]2[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]2)[cH:19][cH:20]1.[NH2:38][c:39]1[c:40]([C:47](=[O:48])[NH:49][C:50]([S:51][CH3:52])=[NH:53])[n:41][c:42]([Cl:46])[c:43]([NH2:45])[n:44]1>>[NH:10]([CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[NH:26][CH2:27][CH:28]([OH:29])[c:30]2[cH:31][c:32]([OH:36])[cH:33][cH:34][cH:35]2)[cH:19][cH:20]1)[C:50]([NH:49][C:47]([c:40]1[c:39]([NH2:38])[n:44][c:43]([NH2:45])[c:42]([Cl:46])[n:41]1)=[O:48])=[NH:53]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-0183576eb01d4d5091f11e26635484a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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