HRID2122928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID77379

5-Chloro-1H-indole-3-ethylamine

C10H11ClN2

HCID2799322

1-Benzyl-3-tert-butyl-1H-pyrazole-5-carbonyl chloride

C15H17ClN2O

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)n(Cc2ccccc2)n1

HCID66831672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f0772a9f71e4e0fb448ead2b6bf2115
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

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