Dimethylamine → 4-(3,5-dichloropyridin-4-ylamino)-8-(4-(dimethylamino)butoxy)-7-methoxy-2H-chromen-2-one

반응식

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

참가 물질

반응물 3

HCID 674Dimethylamine

HCID 679Dimethyl Sulfoxide

HCID 248495678-(4-bromobutoxy)-4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2H-chromen-2-one

생성물 1

HCID 236492924-(3,5-dichloropyridin-4-ylamino)-8-(4-(dimethylamino)butoxy)-7-methoxy-2H-chromen-2-one

출처 및 근거

ORD 기록: ord-de1dbbf559fe4bf391367020ef8ce4ad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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