Tetrahydrofuran → tert-butyl N-[2-[3-[4-[1-(4-bromoanilino)-4-hydroxy-1-oxobutan-2-yl]phenyl]prop-2-enoylamino]phenyl]carbamate

반응식

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

참가 물질

반응물 2

HCID 8028Tetrahydrofuran

HCID 68558226tert-butyl N-[2-[3-[4-[1-(4-bromoanilino)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]phenyl]prop-2-enoylamino]phenyl]carbamate

생성물 1

HCID 67233042tert-butyl N-[2-[3-[4-[1-(4-bromoanilino)-4-hydroxy-1-oxobutan-2-yl]phenyl]prop-2-enoylamino]phenyl]carbamate

출처 및 근거

ORD 기록: ord-fbe53194ffef4b48a567799fa03f5aa6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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