Hydrochloric Acid → 4-(3-Chloro-phenyl)-2-[6-(4-methyl-piperazine-1-carbonyl)-benzoimidazol-1-yl]-thiazole-5-carboxylic acid amide

HRID 2129383Notes

Reaction equation

HRID 2129383 reaction equation
[C:1]([NH2:2])(=[O:3])[c:4]1[c:5](-[c:21]2[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[n:6][c:7](-[n:9]2[cH:10][n:11][c:12]3[c:13]2[cH:14][c:15]([C:18](=[O:19])[OH:20])[cH:16][cH:17]3)[s:8]1.[CH3:28][N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:35][N:36]([C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]1[c:42]2[c:43]([n:44][cH:45][cH:46][cH:47]2)[N:48]=[N:49]1)[CH3:50].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[ClH:58].[F:51][P-:52]([F:53])([F:54])([F:55])([F:56])[F:57].[OH2:59]>>[C:1]([NH2:2])(=[O:3])[c:4]1[c:5](-[c:21]2[cH:22][c:23]([Cl:27])[cH:24][cH:25][cH:26]2)[n:6][c:7](-[n:9]2[cH:10][n:11][c:12]3[c:13]2[cH:14][c:15]([C:18](=[O:20])[N:32]2[CH2:31][CH2:30][N:29]([CH3:28])[CH2:34][CH2:33]2)[cH:16][cH:17]3)[s:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 531671-MethylpiperazineHCID 674273413-[5-carbamoyl-4-(3-chloro-phenyl)-thiazol-2-yl]-3H-benzoimidazole-5-carboxylic acidHCID 178484285HCID 178484285, compound

Product 1

HCID 468305804-(3-Chloro-phenyl)-2-[6-(4-methyl-piperazine-1-carbonyl)-benzoimidazol-1-yl]-thiazole-5-carboxylic acid amide

Sources & evidence

ORD record
ord-6e62c91c51cf48bf83e166be0500b7bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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