4-(Pyrrolidin-1-yl)butan-1-amine → 3-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(4-pyrrolidin-1-yl-butyl)-ureido]-isothiazole-4-carboxylic acid amide

반응식

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

참가 물질

반응물 2

HCID 27627624-(Pyrrolidin-1-yl)butan-1-amine

HCID 11384589(4-Carbamoyl-3-(2,6-difluoro-4-methyl-benzyloxy)-isothiazol-5-yl]-carbamic acid phenyl ester

생성물 1

HCID 98907453-(2,6-Difluoro-4-methyl-benzyloxy)-5-[3-(4-pyrrolidin-1-yl-butyl)-ureido]-isothiazole-4-carboxylic acid amide

출처 및 근거

ORD 기록: ord-a2d06d7e1548498bab7bf578dec14bc3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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