1,3-Benzodioxole-5-ethanamine → 2-(Isoxazol-5-yl)-4-(3,4-methylenedioxyphenethylamino)-5,6-dimethyl-thieno-[2,3-d]-pyrimidine

HRID 86570

반응식

HRID 86570 반응식
[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH2:6][CH2:7][NH2:8])[cH:9][cH:10][c:11]2[O:12]1.[Cl:13][c:14]1[c:15]2[c:16]([n:17][c:18](-[c:20]3[cH:21][cH:22][n:23][o:24]3)[n:19]1)[s:25][c:26]([CH3:29])[c:27]2[CH3:28]>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH2:6][CH2:7][NH:8][c:14]3[c:15]4[c:16]([n:17][c:18](-[c:20]5[cH:21][cH:22][n:23][o:24]5)[n:19]3)[s:25][c:26]([CH3:29])[c:27]4[CH3:28])[cH:9][cH:10][c:11]2[O:12]1

참가 물질

3

반응물 2

HCID 738741,3-Benzodioxole-5-ethanamineHCID 184603324-Chloro-2-(isoxazol-5-yl)-5,6-dimethyl-thieno-[2,3-d]-pyrimidine

생성물 1

HCID 184605352-(Isoxazol-5-yl)-4-(3,4-methylenedioxyphenethylamino)-5,6-dimethyl-thieno-[2,3-d]-pyrimidine

출처 및 근거

ORD 기록
ord-ac6d4223663d43e2a1d10a0841aacdc3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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