Ethanol → HCID 18454481, compound
Reaction equation
[BH4-:49].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:54][CH2:55][OH:56].[Cl:51][CH2:52][Cl:53].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]([OH:10])[c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:6][CH2:7]1.[Na+:42].[Na+:43].[Na+:50].[O-:44][S:45]([O-:46])(=[O:47])=[O:48].[n:23]1[c:24]([CH:33]=[O:34])[cH:25][cH:26][c:27]2[c:32]1[NH:31][CH2:30][CH2:29][CH2:28]2>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH:9]([OH:10])[c:11]2[cH:12][cH:13][n:14][c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:6][CH2:7]1)[CH2:33][c:24]1[n:23][c:32]2[c:27]([cH:26][cH:25]1)[CH2:28][CH2:29][CH2:30][NH:31]2Participants
9
Sources & evidence
- ORD record
- ord-479943ef655a46cabedbc5ca08b3f870
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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