HRID1142442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID76688

Cyclohexanemethylamine

C7H15N

HCID81531

Diisopropylethylamine

C8H19N

结构：O=C(O)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1

HCID22180487

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC1CCCCC1)c1cccc(N2CCN(CCC(c3ccccc3)c3ccccc3)CC2)c1

HCID22180288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffb5b6d0d8e840e2a11dcbcdf38cf727
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH2:36][CH3:37])([CH3:38])[CH3:39].[CH:40]1([CH2:46][NH2:47])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[Cl:48][CH2:49][Cl:50].[c:1]1([CH:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([c:16]3[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][cH:24]3)[CH2:14][CH2:15]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][N:13]([c:16]3[cH:17][c:18]([C:19](=[O:20])[NH:47][CH2:46][CH:40]4[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]4)[cH:22][cH:23][cH:24]3)[CH2:14][CH2:15]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1