HRID186236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

HCID22063143

未命名化合物

HCID69416768

Methyl N-(ethylcarbamoyl)benzenecarboximidate

C11H14N2O2

PRODUCTS

生成物

结构：CCNC(=O)N=C(NC(CC1CCCCC1)C(=O)NC1(C#N)CCN(C)CC1)c1ccccc1

HCID178465356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e57bc903ca9c403d815fb6d4c10795c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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