5-Nitro-1,3-benzothiazol-2-amine → 3-Hydroxy-2,2-dimethyl-4-(5-nitro-benzothiazol-2-ylamino)-chroman-6-carbonitrile

HRID 112632

반응식

HRID 112632 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.[N+:16](=[O:17])([O-:18])[c:19]1[cH:20][cH:21][c:22]2[c:23]([n:24][c:25]([NH2:27])[s:26]2)[cH:28]1>>[CH3:1][C:2]1([CH3:15])[CH:3]([OH:14])[CH:4]([NH:27][c:25]2[n:24][c:23]3[c:22]([cH:21][cH:20][c:19]([N+:16](=[O:17])[O-:18])[cH:28]3)[s:26]2)[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 27547595-Nitro-1,3-benzothiazol-2-amineHCID 108673602,2-Dimethyl-3,4-epoxy-6-cyanochroman

생성물 1

HCID 866110153-Hydroxy-2,2-dimethyl-4-(5-nitro-benzothiazol-2-ylamino)-chroman-6-carbonitrile

출처 및 근거

ORD 기록
ord-55489c6d7674434b86eef46267906fa4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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