HRID94702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11402228

8-bromooctanoyl Chloride

C8H14BrClO

结构：CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N)cc2)cc1

HCID24772097

N-[(4-Aminophenyl)carbamothioyl]-4-tert-butylbenzamide

C18H21N3OS

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCCCCBr)cc2)cc1

HCID86650278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ab0e79b66914b689d9fba70d0dc3e1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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