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

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[n:21][cH:22][cH:23][n:24][cH:25]3)[n:19]1)[s:26][c:27]([CH3:30])[c:28]2[CH3:29]>>[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[n:21][cH:22][cH:23][n:24][cH:25]5)[n:19]3)[s:26][c:27]([CH3:30])[c:28]4[CH3:29])[cH:9][cH:10][c:11]2[O:12]1

참가 물질

반응물 2

HCID 738741,3-Benzodioxole-5-ethanamine

HCID 184602734-Chloro-2-(pyrazin-2-yl)-5,6-dimethyl-thieno-[2,3-d]-pyrimidine

생성물 1

HCID 184599232-(Pyrazin-2-yl)-4-(3,4-methylenedioxyphenethylamino)-5,6-dimethyl-thieno-[2,3-d]-pyrimidine

출처 및 근거

ORD 기록: ord-bf1e0e1f6f50433e8142f9e5fd4a8d00
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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