HRID2329932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID6375

Nitromethane

CH3NO2

HCID12734

Diisopropylcarbodiimide

C7H14N2

结构：O=C(OCc1ccccc1)C1NC(Cc2ccccc2)(C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O)SC12CCNCC2

HCID54040992

未命名化合物

PRODUCTS

生成物

HCID20084

1,3-Dipropan-2-ylurea

C7H16N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-646797b3fb934564bc7dc70a0ba7b418
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([C:2]1([CH:3]([NH:4][C:5]([c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)([c:12]2[cH:13][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[C:25]([OH:26])=[O:27])[NH:28][CH:29]([C:30](=[O:14])[O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[C:39]2([CH2:40][CH2:41][NH:42][CH2:43][CH2:44]2)[S:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:52]([CH3:53])([CH3:54])[N:55]=[C:56]=[N:57][CH:58]([CH3:59])[CH3:60].[CH:68]([Cl:69])([Cl:70])[Cl:71].[Cl:61][CH2:62][Cl:63].[N+:64]([CH3:65])([O-:66])=[O:67]>>[O:14]=[C:56]([NH:55][CH:52]([CH3:53])[CH3:54])[NH:57][CH:58]([CH3:59])[CH3:60]