Acetate → 3,5-Dichloro-4(4'-methoxy-3'-(6-methoxy-3-pyridylmethyl)phenylthio)benzonitrile
Reaction equation
[C-:36]#[N:37].[CH3:42][C:43](=[O:44])[O-:45].[CH3:47][C:48](=[O:49])[OH:50].[CH:56]([Cl:57])([Cl:58])[Cl:59].[Cl:5][c:6]1[cH:7][c:8]([NH2:9])[cH:10][c:11]([Cl:31])[c:12]1[S:13][c:14]1[cH:15][c:16]([CH2:22][c:23]2[cH:24][n:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:17]([O:20][CH3:21])[cH:18][cH:19]1.[N:1]([O-:2])=[O:3].[NH2:32][C:33](=[O:34])[NH2:35].[Na+:41].[Na+:4].[Na:38][C:39]#[N:40].[OH2:46].[S:51](=[O:52])(=[O:53])([OH:54])[OH:55]>>[Cl:5][c:6]1[cH:7][c:8]([C:33]#[N:32])[cH:10][c:11]([Cl:31])[c:12]1[S:13][c:14]1[cH:15][c:16]([CH2:22][c:23]2[cH:24][n:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:17]([O:20][CH3:21])[cH:18][cH:19]1Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-9d8481fae1b8455995fed3c10ea62138
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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