HRID2125474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID103574

Ethyl 1,3-thiazolidine-4-carboxylate

C6H11NO2S

HCID13025407

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CSCN1C(=O)c1ccc(NCCCCCCCCCCCCCCCCBr)cc1

HCID13025409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9736bab66084d0386bf72123c2421bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][NH:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[Cl:26])[cH:27][cH:28]1.[CH2:46]([Cl:47])[Cl:48].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH:49]([Cl:50])([Cl:51])[Cl:52].[ClH:1].[S:29]1[CH2:30][NH:31][CH:32]([C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH2:33]1>>[Br:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][NH:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[N:31]2[CH2:30][S:29][CH2:33][CH:32]2[C:34](=[O:35])[O:36][CH2:37][CH3:38])[cH:27][cH:28]1