Methanol → [2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-[5-(3-hydroxy-butylamino)-2-methyl-phenyl]-methanone

HRID 1536417

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 78973-Hydroxybutanal

HCID 11538012(5-Amino-2-methyl-phenyl)-[2-chloro-4-(2,4-difluoro-phenylamino)-phenyl]-methanone

생성물 1

HCID 58677686[2-Chloro-4-(2,4-difluoro-phenylamino)-phenyl]-[5-(3-hydroxy-butylamino)-2-methyl-phenyl]-methanone

출처 및 근거

ORD 기록: ord-ce67949289cd436fa861b3223be14f49
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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