Acetic Acid → 4-(3-Chloro-4-methoxybenzyl)amino-6-cyano-1(2H)-phthalazinone
Reaction equation
[CH3:25][C:26]([OH:27])=[O:28].[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][CH2:44][C:45]1=[O:46].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12.[OH2:38]>>[c:2]1(=[O:27])[nH:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12Participants
6
Sources & evidence
- ORD record
- ord-c058a6e21d6e4dbc9604e9dd8ec5b580
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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