HRID1236558

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID637602

6-[(tert-Butoxycarbonyl)amino]hexanoic acid

C11H21NO4

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)OC(=O)NCCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID86650281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4c431bbd87240f59325dbe87c775c4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37](=[O:38])[OH:39].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:49][CH2:50][Cl:51].[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:37]([CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][NH:31][C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])=[O:38]