Dimethyl Sulfoxide → N-hydroxy-3-(2'-oxo-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indoline]-1'-yl)propanimidamide

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 787Hydroxylamine

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

생성물 1

HCID 75110104N-hydroxy-3-(2'-oxo-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,3'-indoline]-1'-yl)propanimidamide

출처 및 근거

ORD 기록: ord-dcb89aed6a9445e786816bebf81199fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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