4-Cyano-1-butyne → 5-[6-Hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pent-4-enenitrile

HRID 2134317

반응식

HRID 2134317 반응식
[Br:7][c:8]1[cH:9][cH:10][c:11]2[cH:12][c:13]([OH:26])[c:14]([N:18]3[CH2:19][C:20](=[O:25])[NH:21][S:22]3(=[O:23])=[O:24])[cH:15][c:16]2[cH:17]1.[C:1]([CH2:2][CH2:3][C:4]#[CH:5])#[N:6]>>[C:1]([CH2:2][CH2:3][CH:4]=[CH:5][c:8]1[cH:9][cH:10][c:11]2[cH:12][c:13]([OH:26])[c:14]([N:18]3[CH2:19][C:20](=[O:25])[NH:21][S:22]3(=[O:23])=[O:24])[cH:15][c:16]2[cH:17]1)#[N:6]

참가 물질

3

반응물 2

HCID 1405604-Cyano-1-butyneHCID 177517615-(7-Bromo-3-hydroxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one

생성물 1

HCID 667508365-[6-Hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pent-4-enenitrile

출처 및 근거

ORD 기록
ord-86c221e57cec4d5c8f625189e7a11a26
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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