HRID204726

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：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cc(F)cc(Cl)c2)CCNCC1

HCID69684965

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2cc(F)cc(Cl)c2)CCN(C(=O)C(C)(C)C)CC1

HCID72403909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95d2a331a66848438c166ddcd571d615
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

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