HRID282374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID12228

Methyl isocyanate

C2H3NO

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCNCC1

HCID59752320

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)N1CCC(N(C(=O)C2CCC(C)CC2)c2cc(-c3ccccc3)sc2C(=O)OC)CC1

HCID59752389

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9188309b2f45431485125ec04caaf0bd
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

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