HRID136938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID3016935

4-methylpiperazine-1-carbonyl Chloride

C6H11ClN2O

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(N)c1)N2

HCID67442796

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(=O)N3CCN(C)CC3)c1)N2

HCID67442342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26cc4baf02754aa98fac59169e5bba14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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