HRID2138473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID87536

Propanamide, N-(2-hydroxyethyl)-

C5H11NO2

HCID166653

Hydride

H-

结构：CC(C)CC1COC(C)(C)N1C(=O)c1cnc(Cl)c(-c2ccc(Cl)cc2)c1

HCID87425049

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NCCOc1ncc(C(=O)N2C(CC(C)C)COC2(C)C)cc1-c1ccc(Cl)cc1

HCID67505398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6aa86256edca41c3a8a1f4a32fc7c498
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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