Methanol → HCID 12052639, compound
Reaction equation
[CH3:54][OH:55].[Cl:47][CH:48]([Cl:49])[Cl:50].[Cl:51][CH2:52][Cl:53].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][NH:14][c:15]3[c:16]([NH2:21])[cH:17][cH:18][cH:19][cH:20]3)[cH:22][cH:23]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[N:30]1([CH2:35][CH2:36][O:37][c:38]2[cH:39][cH:40][c:41]([C:42](=[O:43])[Cl:44])[cH:45][cH:46]2)[CH2:31][CH2:32][CH2:33][CH2:34]1.[cH:24]1[cH:25][cH:26][n:27][cH:28][cH:29]1>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][NH:14][c:15]3[c:16]([NH:21][C:42]([c:41]4[cH:40][cH:39][c:38]([O:37][CH2:36][CH2:35][N:30]5[CH2:31][CH2:32][CH2:33][CH2:34]5)[cH:46][cH:45]4)=[O:43])[cH:17][cH:18][cH:19][cH:20]3)[cH:22][cH:23]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
7
Sources & evidence
- ORD record
- ord-8970cc310aa6456e80f4c5c03d985181
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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