3-Bromopropionitrile → 3-(2'-oxo-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indoline]-1'-yl)propanenitrile

HRID 109625

반응식

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

참가 물질

반응물 3

HCID 170203-Bromopropionitrile

HCID 97249Benzonitrile, 3-(bromomethyl)-

HCID 53375495spiro[furo[2,3-f][1,3]benzodioxole-7,3'-indol]-2'(1'H)-one

생성물 1

HCID 593525813-(2'-oxo-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indoline]-1'-yl)propanenitrile

출처 및 근거

ORD 기록: ord-7893344ae0da436abab3609a6584bbc1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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