Dichloromethane → N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

HRID 835280노트

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 68412933Tert-butyl 7-[3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepine-4-carboxylate

생성물 1

HCID 66780510N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

출처 및 근거

ORD 기록: ord-e5ca79e2434c49658750303d86b546fd
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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