Methanol → HCID 178441753, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH:13]2[CH2:14][CH2:15][c:16]3[cH:17][c:18](-[c:22]4[c:23](-[c:28]5[n:29][n:30][n:31][n:32]5[C:33]([c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)([c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[c:46]5[cH:47][cH:48][cH:49][cH:50][cH:51]5)[cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20][c:21]32)[c:7]([Cl:12])[c:8]([CH2:10][OH:11])[n:9]1.[CH3:52][OH:53]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH:13]2[CH2:14][CH2:15][c:16]3[cH:17][c:18](-[c:22]4[c:23](-[c:28]5[n:29][n:30][n:31][nH:32]5)[cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20][c:21]32)[c:7]([Cl:12])[c:8]([CH2:10][OH:11])[n:9]1Participants
3
Sources & evidence
- ORD record
- ord-15eaa76490d0496fb73aa2a042c1dd87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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