HRID1211198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

2 次

HCID11986

Benzoxazole, 2-chloro-

C7H4ClNO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cc2c(cc1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2

HCID10199731

6-methoxy-1-methyl-7-[(2-phenyl-piperidin-3-yl-amino)-methyl]-3,4-dihydro-1H-quinolin-2-one

C23H29N3O2

PRODUCTS

生成物

结构：COc1cc2c(cc1CNC1CCCN(c3nc4ccccc4o3)C1c1ccccc1)N(C)C(=O)CC2

HCID69654563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d5ded4679724ab9827565987fe60d5f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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