HRID296868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID6341

Ethanamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

结构：CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(C(=O)O)cc2OCC3)c(Cl)c1

HCID56834269

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccc(C(=O)N(C)C)cc3Cl)sc1-2

HCID57900236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b970f6151c2249898631d7cf48f6f23d
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

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