1,2-Benzisothiazol-3(2H)-one → 4-(Benzo[d]isothiazol-3-yloxy)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

HRID 678575

반응식

HRID 678575 반응식
[CH3:1][C:2]1([CH3:15])[CH:3]2[CH:4]([c:5]3[cH:6][c:7]([C:12]#[N:13])[cH:8][cH:9][c:10]3[O:11]1)[O:14]2.[O:16]=[c:17]1[nH:18][s:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]12>>[CH3:1][C:2]1([CH3:15])[CH:3]([OH:14])[CH:4]([O:16][c:17]2[n:18][s:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[c:5]2[cH:6][c:7]([C:12]#[N:13])[cH:8][cH:9][c:10]2[O:11]1

참가 물질

3

반응물 2

HCID 175201,2-Benzisothiazol-3(2H)-oneHCID 108673602,2-Dimethyl-3,4-epoxy-6-cyanochroman

생성물 1

HCID 667000204-(Benzo[d]isothiazol-3-yloxy)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile

출처 및 근거

ORD 기록
ord-0c37bb4cdc2f44438f8357dc96fb9fb5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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