HRID950174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID14924449

1-Methyl-3-(piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one

C13H17N3O

反应SMILES：CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC=O)C1

HCID86584818

未命名化合物

PRODUCTS

产物

反应SMILES：Cn1c(=O)n(C2CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(C(=O)OC(C)(C)C)C4)CC2)c2ccccc21

HCID69159817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8ebb58ec2c844a0d93d1ece547d52827
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:27][CH2:28][CH:29]=[O:30])[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[C:48]([OH:49])(=[O:50])[CH3:51].[CH3:31][n:32]1[c:33](=[O:47])[n:34]([CH:41]2[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]2)[c:35]2[c:36]1[cH:37][cH:38][cH:39][cH:40]2.[Cl:57][CH2:58][Cl:59].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:27][CH2:28][CH2:29][N:44]3[CH2:43][CH2:42][CH:41]([n:34]4[c:33](=[O:47])[n:32]([CH3:31])[c:36]5[c:35]4[cH:40][cH:39][cH:38][cH:37]5)[CH2:46][CH2:45]3)[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[CH2:12][CH2:13]1