Ethanolamine → 3-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-3H-thieno[3,4-d]imidazole-2,6-dicarboxylic acid

반응식

[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:24]([NH:25][CH:26]4[CH2:27][CH2:28][N:29]([CH:30]5[CH2:31][CH2:32]5)[CH2:33][CH2:34]4)=[O:35])[n:15][c:16]4[c:17]3[cH:18][s:19][c:20]4[C:21](=[O:22])[OH:23])[n:10][o:11]2)[s:6]1.[NH2:36][CH2:37][CH2:38][OH:39]>>[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:24]([OH:35])=[O:39])[n:15][c:16]4[c:17]3[cH:18][s:19][c:20]4[C:21](=[O:22])[OH:23])[n:10][o:11]2)[s:6]1

참가 물질

반응물 2

HCID 700Ethanolamine

HCID 670130933-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-cyclopropyl-piperidin-4-ylcarbamoyl)-3H-thieno[3,4-d]imidazole-6-carboxylic acid

생성물 1

HCID 865958793-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-3H-thieno[3,4-d]imidazole-2,6-dicarboxylic acid

출처 및 근거

ORD 기록: ord-56b994bd28674c6c9f34202c224edae7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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