Methanol → HCID 178483431, compound
Reaction equation
[C:28](=[O:29])([n:30]1[cH:31][cH:32][n:33][cH:34]1)[n:35]1[cH:36][cH:37][n:38][cH:39]1.[C:56]([O:57][CH2:58][CH3:59])(=[O:60])[CH3:61].[CH3:54][OH:55].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][NH2:20])[CH3:21])[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:6][cH:7]1.[NH:40]([C:41](=[NH:42])[NH2:43])[c:44]1[s:45][cH:46][c:47]([CH2:49][S:50][CH2:51][CH2:52][NH2:53])[n:48]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:28](=[O:29])[NH:53][CH2:52][CH2:51][S:50][CH2:49][c:47]2[cH:46][s:45][c:44]([NH:40][C:41](=[NH:42])[NH2:43])[n:48]2)[CH3:21])[c:22]2[n:23][cH:24][cH:25][cH:26][cH:27]2)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-e4bcf85939454302a99fa8705ae54590
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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