4-(Propan-2-yl)-3-sulfamoylbenzoic acid → 4-Isopropyl-N-[2-methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-3-sulfamoyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 167729934-(Propan-2-yl)-3-sulfamoylbenzoic acid

HCID 594018302-Methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenylamine

생성물 1

HCID 594018164-Isopropyl-N-[2-methyl-4-(2-methyl-[1,3']bipyrrolidinyl-1'-yl)-phenyl]-3-sulfamoyl-benzamide

출처 및 근거

ORD 기록: ord-7700669ea424406b94b1c2b4c4879854
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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