HRID1563656

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID10678961

Methyl 2-(3-aminophenoxy)acetate

C9H11NO3

结构：Clc1ncnc2oc(-c3ccc(Br)cc3)c(-c3ccccc3)c12

HCID86211196

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1cccc(Nc2ncnc3oc(-c4ccc(Br)cc4)c(-c4ccccc4)c23)c1

HCID25095117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ba6ef7982834278808d8e8fcbfc6b7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:10]3[c:11]([n:12][cH:13][n:14][c:15]3[Cl:16])[o:17]2)[cH:6][cH:7]1.[CH3:24][O:25][C:26]([CH2:27][O:28][c:29]1[cH:30][c:31]([NH2:35])[cH:32][cH:33][cH:34]1)=[O:36].[CH3:37][S:38]([CH3:39])=[O:40]>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:10]3[c:11]([n:12][cH:13][n:14][c:15]3[NH:35][c:31]3[cH:30][c:29]([O:28][CH2:27][C:26]([O:25][CH3:24])=[O:36])[cH:34][cH:33][cH:32]3)[o:17]2)[cH:6][cH:7]1