Chloride → ethyl N-(2,6-dichloroisonicotinoyl)-5,7-dihydro-6H-dibenz[c,e]azepine-6-carboximidate

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 948302,6-Dichloroisonicotinic acid

HCID 19833914ethyl 5,7-dihydro-6H-dibenz[c,e]azepine-6carboximidate

생성물 1

HCID 19833902ethyl N-(2,6-dichloroisonicotinoyl)-5,7-dihydro-6H-dibenz[c,e]azepine-6-carboximidate

출처 및 근거

ORD 기록: ord-a29d5cd4d0154fe0a3cd7ce879d88180
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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