HRID1236091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8900

Heptane

C7H16

HCID92259

2,6-Diisopropylphenyl isocyanate

C13H17NO

HCID39871991

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(S(=O)(=O)c2ccccc2)CCCC1

HCID25225481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d6d3e1ae0de4f67aa44925d5ab2e391
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

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