N-methyl-2-pyrrolidone → 2-amino-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carbonitrile

반응식

[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:21][CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1.[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][C:35]1=[O:36].[Cu:27][C:28]#[N:29]>>[c:2]1([C:28]#[N:29])[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([O:21][CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[cH:13][c:14]1[C:15]21[N:16]=[C:17]([NH2:20])[O:18][CH2:19]1

참가 물질

반응물 3

HCID 13387N-methyl-2-pyrrolidone

HCID 584662982'-bromo-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine

HCID 178418546HCID 178418546, 화합물

생성물 1

HCID 672409722-amino-7'-(2,2-dimethylpropoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-carbonitrile

출처 및 근거

ORD 기록: ord-e9e899cd6453427695b9b9cec29317f2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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