Hydrochloric Acid → 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-imidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 197842

반응식

HRID 197842 반응식
[CH:27]([CH3:28])([CH3:29])[N:30]1[CH2:31][CH2:32][CH:33]([NH2:36])[CH2:34][CH2:35]1.[Cl:18][C:19]([C:20](=[O:21])[Cl:24])([Cl:22])[Cl:23].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[cH:14][n:15][cH:16][cH:17]3)[n:10][o:11]2)[s:6]1.[Cl:37][CH2:38][Cl:39].[ClH:25].[ClH:26]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([CH2:12][n:13]3[c:14]([C:20](=[O:21])[NH:36][CH:33]4[CH2:32][CH2:31][N:30]([CH:27]([CH3:28])[CH3:29])[CH2:35][CH2:34]4)[n:15][cH:16][cH:17]3)[n:10][o:11]2)[s:6]1

참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 6344DichloromethaneHCID 6420Trichloroacetyl chlorideHCID 31633331-(Propan-2-yl)piperidin-4-amineHCID 691120685-(5-Chloro-thiophen-2-yl)-3-imidazol-1-ylmethyl-isoxazole

생성물 1

HCID 103881781-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-imidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

출처 및 근거

ORD 기록
ord-ac70eb17cf17457482e6045336b74beb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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