HRID2323023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6598

Dimethylcarbamoyl chloride

C3H6ClNO

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCNCC2)n3CC(F)F)CC1

HCID68563634

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCN(C(=O)N(C)C)CC2)n3CC(F)F)CC1

HCID68565655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9bee26f456c4ce78154dedb2537cb4f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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