1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester → Acibenzolar Acid Impurity 21

HRID 1204452

Reaction equation

HRID 1204452 reaction equation
[Br:13][c:14]1[c:15]2[n:16][n:17][s:18][c:19]2[c:20]([C:21]#[N:22])[c:23]([Br:24])[cH:25]1.[CH3:38][O:39][C:40]([c:41]1[c:42]2[s:43][n:44][n:45][c:46]2[cH:47][cH:48][cH:49]1)=[O:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:11]#[N:12])[c:6]2[c:7]1[n:8][n:9][s:10]2.[s:26]1[c:27]2[c:28]([C:29]([OH:30])=[O:31])[cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[cH:2]1[cH:3][cH:4][c:5]([C:11]#[N:12])[c:6]2[c:7]1[n:8][n:9][s:10]2

Participants

5

Reactant 4

HCID 1794011,2,3-Benzothiadiazole-7-carboxylic acid, methyl esterHCID 109211091,2,3-Benzothiadiazole-7-carboxylic acidHCID 224033704,6-Dibromo-7-cyanobenzo-1,2,3-thiadiazoleHCID 224033714-Chloro-7-cyanobenzo-1,2,3-thiadiazole

Product 1

HCID 22182879Acibenzolar Acid Impurity 21

Sources & evidence

ORD record
ord-188339b626ac4d5aa78696c349960667
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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