HRID1541920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID76727

Morpholine, 4-(2-chloroethyl)-

C6H12ClNO

HCID166653

Hydride

H-

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1

HCID18401725

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C(=O)N(CCN1CCOCC1)CN2c1ccccc1

HCID18401715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70b00a23ba594919856b92dd633b9a31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:46](=[O:47])([OH:48])[O-:49].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:37][CH2:38][CH2:39][N:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[ClH:36].[F:3][C:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][C:13]3([C:14](=[O:24])[NH:15][CH2:16][N:17]3[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:25][CH2:26]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[H-:1].[Na+:2].[Na+:50]>>[F:3][C:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][C:13]3([C:14](=[O:24])[N:15]([CH2:38][CH2:39][N:40]4[CH2:41][CH2:42][O:43][CH2:44][CH2:45]4)[CH2:16][N:17]3[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:25][CH2:26]2)[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]