Acetonitrile → 2-(6-chlorophthalazin-1-yl)-tetrahydropyrrolo[1,2-a]pyrazin-6(1H,2H,7H)-one

반응식

[CH2:1]1[CH:2]2[N:3]([CH2:4][CH2:5][NH:6]1)[C:7](=[O:10])[CH2:8][CH2:9]2.[CH3:23][C:24]#[N:25].[Cl:11][c:12]1[n:13][n:14][cH:15][c:16]2[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]12>>[CH2:1]1[CH:2]2[N:3]([CH2:4][CH2:5][N:6]1[c:12]1[n:13][n:14][cH:15][c:16]3[cH:17][c:18]([Cl:22])[cH:19][cH:20][c:21]13)[C:7](=[O:10])[CH2:8][CH2:9]2

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 10820612Octahydropyrrolo[1,2-a]piperazin-6-one

HCID 143223331,6-Dichlorophthalazine

생성물 1

HCID 684550602-(6-chlorophthalazin-1-yl)-tetrahydropyrrolo[1,2-a]pyrazin-6(1H,2H,7H)-one

출처 및 근거

ORD 기록: ord-9fc3473e508b45dd91185a0a669d1744
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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