HRID1553929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID12206516

4-Chlorobenzenepropanoyl chloride

C9H8Cl2O

HCID21400082

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(OC(=O)CCc2ccc(Cl)cc2)N(c2nnc(C(C)(C)C)s2)C1=O

HCID21455472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0a3ba0401054255a536a9bd600885fc
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

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