1-Butanol → 4-[4-(3-Chloro-4-fluoro-phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-benzoic acid ethyl ester

반응식

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

참가 물질

반응물 3

HCID 2631-Butanol

HCID 97083-Chloro-4-fluoroaniline

HCID 232826964-(4-Chloro-7H-pyrrolo[2,3-D]pyrimidin-6-YL)benzoic acid ethyl ester

생성물 1

HCID 691797204-[4-(3-Chloro-4-fluoro-phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-benzoic acid ethyl ester

출처 및 근거

ORD 기록: ord-f24451d84942439c945e1d80d35e5db5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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