HRID701711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

结构：O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1

HCID3822

Ketanserin

C22H22FN3O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75886

2-Chloro-N,N-dimethylacetamide

C4H8ClNO

HCID123138

Ethyl radical

C2H5

HCID166653

Hydride

H-

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C)C(=O)Cn1c(=O)n(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c(=O)c2ccccc21

HCID22322409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dde35d3399eb4dc8aae076a7935840d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:39][CH3:40].[Cl:32][CH2:33][C:34](=[O:35])[N:36]([CH3:37])[CH3:38].[ClH:41].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]3[c:17](=[O:27])[nH:18][c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[c:25]3=[O:26])[CH2:12][CH2:13]2)[cH:28][cH:29]1.[H-:31].[Na+:30].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:47]>>[ClH:32].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]3[c:17](=[O:27])[n:18]([CH2:33][C:34](=[O:35])[N:36]([CH3:37])[CH3:38])[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[c:25]3=[O:26])[CH2:12][CH2:13]2)[cH:28][cH:29]1