HRID1540619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12085

Benzoic acid, 4-iodo-

C7H5IO2

HCID24386

Thionyl chloride

Cl2OS

HCID10663708

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(I)cc1)c1c(-c2ccc(OCCN3CCCC3)cc2)sc2ccccc12

HCID21182628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-789deba526d4422fa9abbaadd33d97a6
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

[Cl:43][CH2:44][CH2:45][Cl:46].[I:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[N:15]1([CH2:20][CH2:21][O:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][c:31]4[c:32]([s:33]3)[cH:34][cH:35][cH:36][cH:37]4)[cH:27][cH:28]2)[CH2:16][CH2:17][CH2:18][CH2:19]1.[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[S:11]([Cl:12])([Cl:13])=[O:14]>>[I:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:8])[c:30]2[c:29](-[c:26]3[cH:25][cH:24][c:23]([O:22][CH2:21][CH2:20][N:15]4[CH2:16][CH2:17][CH2:18][CH2:19]4)[cH:28][cH:27]3)[s:33][c:32]3[c:31]2[cH:37][cH:36][cH:35][cH:34]3)[cH:9][cH:10]1