Dimethyl Sulfoxide → 4-[3-(tert-Butoxycarbonylamino)pyrrolidin-1-yl]-5-fluoro-2-isopropylaminobenzoic acid ethyl ester

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 6363Isopropylamine

HCID 690751024-(3-tert-Butoxycarbonylaminopyrrolidin-1-yl)-2,5-difluorobenzoic acid ethyl ester

생성물 1

HCID 210411894-[3-(tert-Butoxycarbonylamino)pyrrolidin-1-yl]-5-fluoro-2-isopropylaminobenzoic acid ethyl ester

출처 및 근거

ORD 기록: ord-dda13d4c69894cf7a12e0d3a0678a6b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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