Bicarbonate Ion → N-(3-bromo-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl) [1,2,4]triazol-5-ylmethyl)-3,4-dichlorobenzamide

HRID 1536265Notes

Reaction equation

HRID 1536265 reaction equation
[Br:1][c:2]1[n:3][n:4][c:5]2[n:6]1-[c:7]1[c:8]([cH:19][c:20]([CH2:22][CH3:23])[s:21]1)[C:9]([c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)=[N:10][CH2:11]2.[CH:45]([Cl:46])([Cl:47])[Cl:48].[Cl:34][c:35]1[cH:36][c:37]([C:38](=[O:39])[Cl:40])[cH:41][cH:42][c:43]1[Cl:44].[Na+:29].[OH:30][C:31](=[O:32])[O-:33].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[Br:1][c:2]1[n:3][n:4][c:5]([CH2:11][NH:10][C:38]([c:37]2[cH:36][c:35]([Cl:34])[c:43]([Cl:44])[cH:42][cH:41]2)=[O:39])[n:6]1-[c:7]1[c:8]([C:9]([c:12]2[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]2)=[O:30])[cH:19][c:20]([CH2:22][CH3:23])[s:21]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1118Sulfuric AcidHCID 6212ChloroformHCID 76403Benzoyl chloride, 3,4-dichloro-HCID 677276859-Bromo-4-(2-chlorophenyl)-2-ethyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a] [1,4]diazepine

Product 1

HCID 67728033N-(3-bromo-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl) [1,2,4]triazol-5-ylmethyl)-3,4-dichlorobenzamide

Sources & evidence

ORD record
ord-a388f1538dff4e80bf9c9800d4f617bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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