HRID312455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID99027

1,2-Propanediamine, N1,N1-dimethyl-

C5H14N2

HCID8605861

未命名化合物

结构：CC(C)(C)c1csc(-c2cc3cc(C(=O)Cl)ccc3o2)n1

HCID19603832

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1csc(-c2cc3cc(C(=O)n4cc(C(=O)OCc5ccccc5)c5ccccc54)ccc3o2)n1

HCID19603790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-799d8cb8db534516888dcaeb199dbdc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[n:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([cH:15]2)[cH:16][c:17]([C:20](=[O:21])[Cl:22])[cH:18][cH:19]3)[s:9][cH:10]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][N:50]([CH3:51])[CH2:52][CH:53]([NH2:54])[CH3:55].[Cl:56][CH2:57][Cl:58].[ClH:1].[nH:23]1[cH:24][c:25]([C:32](=[O:33])[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[n:7][c:8](-[c:11]2[o:12][c:13]3[c:14]([cH:15]2)[cH:16][c:17]([C:20](=[O:21])[n:23]2[cH:24][c:25]([C:32](=[O:33])[O:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]24)[cH:18][cH:19]3)[s:9][cH:10]1