HRID1121677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

结构：Cc1cc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

HCID21947740

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

HCID10278082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7134e0edc90443fb311c367332f8b15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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