HRID145216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID872433

未命名化合物

HCID12393370

Isocyanatocyclooctane

C9H15NO

PRODUCTS

生成物

结构：COc1ccccc1N1CCN(CCC(=O)NNC(=O)NC2CCCCCCC2)CC1

HCID59536460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e90f4e4f29044948d1f26e8a861b138
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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