Hydrochloric Acid → Ethyl 4-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-yl)-4-(3,4-dichlorobenzoylamino)butanoate

HRID 2127457Notes

Reaction equation

HRID 2127457 reaction equation
[CH:48]([Cl:49])([Cl:50])[Cl:51].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH:10]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[c:11]3[n:12]([c:20]([CH3:23])[n:21][n:22]3)-[c:13]3[c:14]2[cH:15][c:16]([CH2:18][CH3:19])[s:17]3)[cH:4][cH:5][cH:6][cH:7]1.[Cl:37][c:38]1[cH:39][c:40]([C:41](=[O:42])[Cl:43])[cH:44][cH:45][c:46]1[Cl:47].[ClH:31].[Na+:32].[OH:33][C:34](=[O:35])[O-:36]>>[Cl:1][c:2]1[c:3]([C:8]([c:14]2[c:13](-[n:12]3[c:11]([CH:10]([NH:9][C:41]([c:40]4[cH:39][c:38]([Cl:37])[c:46]([Cl:47])[cH:45][cH:44]4)=[O:42])[CH2:24][CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[n:22][n:21][c:20]3[CH3:23])[s:17][c:16]([CH2:18][CH3:19])[cH:15]2)=[O:33])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6212ChloroformHCID 76403Benzoyl chloride, 3,4-dichloro-HCID 67727690ethyl 3-(4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a] [1,4]diazepin-6-yl)propionate

Product 1

HCID 19085272Ethyl 4-(4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazol-3-yl)-4-(3,4-dichlorobenzoylamino)butanoate

Sources & evidence

ORD record
ord-1f8d5e09f10545038c38b2dabc151028
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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