Methanol → HCID 86741625, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:18]=[CH:19][CH:20]=[CH:21][C:22](=[O:23])[N:24]2[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][O:32][C:33]([CH3:34])([c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:28][CH2:29]2)[cH:6][c:7]([O:16][CH3:17])[c:8]1[O:9][CH2:10][O:11][CH2:12][CH2:13][O:14][CH3:15].[CH3:67][OH:68].[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66].[OH2:48].[OH2:60].[c:49]1([CH3:50])[cH:51][cH:52][c:53]([S:54]([OH:55])(=[O:56])=[O:57])[cH:58][cH:59]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:18]=[CH:19][CH:20]=[CH:21][C:22](=[O:23])[N:24]2[CH2:25][CH2:26][N:27]([CH2:30][CH2:31][O:32][C:33]([CH3:34])([c:35]3[cH:36][cH:37][c:38]([Cl:41])[cH:39][cH:40]3)[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[CH2:28][CH2:29]2)[cH:6][c:7]([O:16][CH3:17])[c:8]1[OH:9]Participants
7
Sources & evidence
- ORD record
- ord-8352dfc9c66b4960bc02fada3cfba031
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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