HRID2148795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID92259

2,6-Diisopropylphenyl isocyanate

C13H17NO

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CNCC1(c2ccccc2)CCCC1

HCID19874901

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)Nc1c(C(C)C)cccc1C(C)C

HCID19874880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57374b72fd31450aada9de6a09b1f471
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

[CH3:16][CH:17]([CH3:18])[c:19]1[c:20]([NH:28][C:29]([CH2:30][NH:31][CH2:32][C:33]2([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:34][CH2:35][CH2:36][CH2:37]2)=[O:44])[c:21]([CH:25]([CH3:26])[CH3:27])[cH:22][cH:23][cH:24]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([N:13]=[C:14]=[O:15])[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH:13][C:14](=[O:15])[N:31]([CH2:30][C:29]([NH:28][c:20]2[c:19]([CH:17]([CH3:16])[CH3:18])[cH:24][cH:23][cH:22][c:21]2[CH:25]([CH3:26])[CH3:27])=[O:44])[CH2:32][C:33]2([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:34][CH2:35][CH2:36][CH2:37]2)[c:6]([CH:10]([CH3:11])[CH3:12])[cH:7][cH:8][cH:9]1