Toluene → 2-[2-[2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

HRID 2338631

반응식

HRID 2338631 반응식
[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[F:1][C:2]1([F:22])[CH2:3][N:4]([c:7]2[c:8]([CH:9]=[N:10][CH2:11][CH2:12][C:13]([CH3:14])([CH3:15])[CH3:16])[cH:17][cH:18][cH:19][c:20]2[F:21])[CH2:5][CH2:6]1.[SH:23][CH:24]([C:25](=[O:26])[OH:27])[CH2:28][C:29](=[O:30])[OH:31]>>[F:1][C:2]1([F:22])[CH2:3][N:4]([c:7]2[c:8]([CH:9]3[N:10]([CH2:11][CH2:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:25](=[O:26])[CH:24]([CH2:28][C:29](=[O:30])[OH:31])[S:23]3)[cH:17][cH:18][cH:19][c:20]2[F:21])[CH2:5][CH2:6]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 6268(+-)-Mercaptosuccinic acidHCID 57774377N-(2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorobenzylidene)-3,3-dimethylbutan-1-amine

생성물 1

HCID 766020162-[2-[2-(3,3-Difluoropyrrolidin-1-yl)-3-fluorophenyl]-3-(3,3-dimethylbutyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

출처 및 근거

ORD 기록
ord-5e392aa9e5a740f79a228993547e4a95
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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