Methanol → HCID 18007791, compound

HRID 133862Notes

Reaction equation

HRID 133862 reaction equation
[CH3:57][OH:58].[Cl:1][c:2]1[cH:3][c:4]([NH2:14])[cH:5][c:6]([Cl:13])[c:7]1-[n:8]1[cH:9][n:10][cH:11][cH:12]1.[Cl:54][CH2:55][Cl:56].[F:15][c:16]1[c:17]([O:25][CH2:26][c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]1.[cH:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[c:40]([CH2:41][O:42][c:43]2[cH:44][c:45]([C:49]([OH:50])=[O:51])[cH:46][cH:47][cH:48]2)[cH:52][n:53]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:14][C:20]([c:19]2[cH:18][c:17]([O:25][CH2:26][c:27]3[cH:28][n:29][cH:30][cH:31][cH:32]3)[c:16]([F:15])[cH:24][cH:23]2)=[O:21])[cH:5][c:6]([Cl:13])[c:7]1-[n:8]1[cH:9][n:10][cH:11][cH:12]1

Participants

6

Sources & evidence

ORD record
ord-0517f42a8b544318858f19db085f8e10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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