Methanol → HCID 178453670, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][NH:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][c:20]([O:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[c:21]([C:24](=[O:25])[O:26][CH3:27])[cH:22][cH:23]2)[cH:16][cH:17]1)[CH2:35][CH:36]([OH:37])[c:38]1[cH:39][c:40]([Cl:44])[cH:41][cH:42][cH:43]1.[CH3:47][OH:48].[Na+:46].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][NH:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][c:20]([O:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)[c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]2)[cH:16][cH:17]1)[CH2:35][CH:36]([OH:37])[c:38]1[cH:39][c:40]([Cl:44])[cH:41][cH:42][cH:43]1Participants
6
Sources & evidence
- ORD record
- ord-b0a3edfbd8ee485c89c2bfb99a6d798c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…