Hydrochloric Acid → 4-chloro-N-(4-{2-[4-(4,5-dihydro-thiazol-2-yl)-piperazin-1-yl]-2-oxo-ethyl}-thiazol-2-yl)-benzamide

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[s:10][cH:11][c:12]([CH2:14][C:15](=[O:16])[OH:17])[n:13]2)[cH:18][cH:19]1.[ClH:20].[ClH:21].[N:22]1([C:28]2=[N:32][CH2:31][CH2:30][S:29]2)[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[s:10][cH:11][c:12]([CH2:14][C:15](=[O:17])[N:25]3[CH2:24][CH2:23][N:22]([C:28]4=[N:32][CH2:31][CH2:30][S:29]4)[CH2:27][CH2:26]3)[n:13]2)[cH:18][cH:19]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid2회

HCID 677042[2-(4-Chloro-benzoylamino)-thiazol-4-yl]-acetic acid

HCID 686808392-(Piperazin-1-yl)-4,5-dihydrothiazole

생성물 1

HCID 596988454-chloro-N-(4-{2-[4-(4,5-dihydro-thiazol-2-yl)-piperazin-1-yl]-2-oxo-ethyl}-thiazol-2-yl)-benzamide

출처 및 근거

ORD 기록: ord-bf3ce621fa8249cdb0a803d444113274
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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