Benzoic acid, 2,4-difluoro-, ethyl ester → HCID 68532439, 화합물

HRID 283375

반응식

HRID 283375 반응식
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([O:12][CH2:13][CH:14]([CH2:15][NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH3:24])[cH:7][c:8]([F:11])[cH:9][cH:10]1)=[O:25].[CH2:26]([O:27][C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([F:34])[cH:35][c:36]1[F:37])[CH3:38].[CH3:39][CH:40]([CH2:41][NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:50][OH:51]>>[O:3]=[C:4]([c:5]1[c:6]([O:12][CH2:13][CH:14]([CH2:15][NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH3:24])[cH:7][c:8]([F:11])[cH:9][cH:10]1)[OH:25]

참가 물질

4

반응물 3

HCID 2737170Benzoic acid, 2,4-difluoro-, ethyl esterHCID 11424042Tert-butyl (3-hydroxy-2-methylpropyl)carbamateHCID 68535248HCID 68535248, 화합물

생성물 1

HCID 68532439HCID 68532439, 화합물

출처 및 근거

ORD 기록
ord-86c371f6f5c8423a8e63903b1030ade8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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