HRID200004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7529

1-Ethenyl-3-methylbenzene

C9H10

结构：CC(O)c1cccc(Nc2nccc(-c3ccc(Br)s3)n2)c1

HCID16666603

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C=Cc2ccc(-c3ccnc(Nc4cccc(C(C)O)c4)n3)s2)c1

HCID67313727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b1f3eb3a0fa4051af8194feff974a1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][c:14]3[cH:15][c:16]([CH:20]([CH3:21])[OH:22])[cH:17][cH:18][cH:19]3)[n:10][cH:11][cH:12]2)[s:6]1.[C:32]([O-:33])(=[O:34])[CH3:35].[CH3:23][c:24]1[cH:25][c:26]([CH:27]=[CH2:28])[cH:29][cH:30][cH:31]1.[CH3:42][S:43]([CH3:44])=[O:45].[Na+:36].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[c:2]1([CH:28]=[CH:27][c:26]2[cH:25][c:24]([CH3:23])[cH:31][cH:30][cH:29]2)[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][c:14]3[cH:15][c:16]([CH:20]([CH3:21])[OH:22])[cH:17][cH:18][cH:19]3)[n:10][cH:11][cH:12]2)[s:6]1