HRID1219410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

4 次

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC1Cc2ccc(C3CCNCC3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402258

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccc(C3CCN(C(=O)N(C)C)CC3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d20603f5c03d4319a75e1eca0b75ed65
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

[CH3:45][N:46]([C:47](=[O:48])[Cl:49])[CH3:50].[CH3:51][C:52]#[N:53].[CH3:54][OH:55].[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[n:13][c:14]([NH2:35])[n:15][c:16]([N:18]3[CH2:19][c:20]4[cH:21][c:22]([CH:29]5[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]5)[cH:23][cH:24][c:25]4[CH2:26][CH:27]3[CH3:28])[cH:17]2)[CH2:10][CH2:11]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:1].[ClH:2].[ClH:3].[ClH:4]>>[CH3:5][N:6]1[CH2:7][CH2:8][N:9]([c:12]2[n:13][c:14]([NH2:35])[n:15][c:16]([N:18]3[CH2:19][c:20]4[cH:21][c:22]([CH:29]5[CH2:30][CH2:31][N:32]([C:47]([N:46]([CH3:45])[CH3:50])=[O:48])[CH2:33][CH2:34]5)[cH:23][cH:24][c:25]4[CH2:26][CH:27]3[CH3:28])[cH:17]2)[CH2:10][CH2:11]1