HRID89874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID6344

Dichloromethane

CH2Cl2

HCID6569

Methyl ethyl ketone

C4H8O

HCID8082

Piperidine

C5H11N

结构：COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)NCCCl)CC2

HCID21487009

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)NCCN1CCCCC1)CC2

HCID21486936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb9afe6698d448719f492b7cfdc37bf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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