HRID1549433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID1810419

1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

C10H11ClN2O

HCID3017584

4-(Diphenylmethoxy)piperidine

C18H21NO

PRODUCTS

生成物

结构：O=c1[nH]c2ccccc2n1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1

HCID13105611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e31ef401e4542cfab65a733a4affffa
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

[CH3:42][CH:43]([CH3:44])[CH2:45][C:46](=[O:47])[CH3:48].[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[ClH:15].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:49].[c:16]1([CH:22]([O:23][CH:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:27]1[CH2:26][CH2:25][CH:24]([O:23][CH:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:29][CH2:28]1