HRID1209124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：CCOc1cccc(C2(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)CCNCC2)c1

HCID68676166

未命名化合物

PRODUCTS

生成物

结构：CCOc1cccc(C2(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)CCN(C(=O)C(C)(C)C)CC2)c1

HCID178466230

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-417932064e4044b0a6168bc884e3e824
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

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