6-(chloromethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one → Benzyl 4-(3-fluoro-4-methoxyphenyl)-3-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

반응식

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

참가 물질

반응물 2

HCID 468352236-(chloromethyl)-4-(3-methoxypropyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

HCID 68500832Benzyl 4-(3-fluoro-4-methoxyphenyl)-3-hydroxypiperidine-1-carboxylate

생성물 1

HCID 68499794Benzyl 4-(3-fluoro-4-methoxyphenyl)-3-[4-(3-methoxypropyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

출처 및 근거

ORD 기록: ord-2765fde85d6f4979b4287087aa7b2c82
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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