beta-Amino-4-chlorobenzenepropanol → (+/-)-2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-N-[2-(4-chloro-phenyl)-1-hydroxymethyl-ethyl]-4-methyl-benzamide

HRID 174261노트

반응식

HRID 174261 반응식
[NH2:24][CH:25]([CH2:26][OH:27])[CH2:28][c:29]1[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]1.[n:1]1[c:2]2[c:3]([n:4][s:5]1)[c:6]([S:10](=[O:11])(=[O:12])[NH:13][c:14]1[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][c:21]([CH3:23])[cH:22]1)[cH:7][cH:8][cH:9]2>>[n:1]1[c:2]2[c:3]([n:4][s:5]1)[c:6]([S:10](=[O:11])(=[O:12])[NH:13][c:14]1[c:15]([C:16](=[O:17])[NH:24][CH:25]([CH2:26][OH:27])[CH2:28][c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[cH:19][cH:20][c:21]([CH3:23])[cH:22]1)[cH:7][cH:8][cH:9]2

참가 물질

3

반응물 2

HCID 548289beta-Amino-4-chlorobenzenepropanolHCID 687710222-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-methylbenzoic acid

생성물 1

HCID 11591660(+/-)-2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-N-[2-(4-chloro-phenyl)-1-hydroxymethyl-ethyl]-4-methyl-benzamide

출처 및 근거

ORD 기록
ord-71259b175a644014acfe82b95c7c17eb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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