methyl 4-(bromomethyl)-2-fluorobenzoate → 3-tert-butoxycarbonyl-7-chloro-6-(3-fluoro-4-methoxycarbonylbenzylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

반응식

[Br:26][CH2:27][c:28]1[cH:29][c:30]([F:38])[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:27][c:28]3[cH:29][c:30]([F:38])[c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1

참가 물질

반응물 2

HCID 18759821methyl 4-(bromomethyl)-2-fluorobenzoate

HCID 576559793-tert-butoxycarbonyl-7-chloro-6-dimethylaminocarbonylthio-2,3,4,5-tetrahydro-1H-benzo[d]azepine

생성물 1

HCID 576565573-tert-butoxycarbonyl-7-chloro-6-(3-fluoro-4-methoxycarbonylbenzylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

출처 및 근거

ORD 기록: ord-9a87ee079dc54584a8d6f9e6a4f171e9
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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