4-Fluorobenzoyl chloride → Ethyl 3-(4-fluorobenzoyl)-1-methyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylate

반응식

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

참가 물질

반응물 2

HCID 678794-Fluorobenzoyl chloride

HCID 25223262Ethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate

생성물 1

HCID 10000577Ethyl 3-(4-fluorobenzoyl)-1-methyl-1,2,3,6-tetrahydro-azepino[4,5-b]indole-5-carboxylate

출처 및 근거

ORD 기록: ord-76c5bc5968b340ba89fa929f5c233357
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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