HRID1129471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID726693

5-(4-Chlorophenyl)-2-furoic acid

C11H7ClO3

HCID2757154

1-(3-Bromophenyl)piperazine

C10H13BrN2

PRODUCTS

生成物

结构：O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2cccc(Br)c2)CC1

HCID22762644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbd7779d580a4b2899bee792b6432629
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:20][c:21]1[cH:22][c:23]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:24][cH:25][cH:26]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:13](=[O:14])[OH:15])[o:12]2)[cH:6][cH:7]1.[OH2:46].[S:16]([Cl:17])([Cl:18])=[O:19].[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:13](=[O:15])[N:30]3[CH2:29][CH2:28][N:27]([c:23]4[cH:22][c:21]([Br:20])[cH:26][cH:25][cH:24]4)[CH2:32][CH2:31]3)[o:12]2)[cH:6][cH:7]1