HRID158529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID69632

Bromoacetamide

C2H4BrNO

反应SMILES：Cc1ccc(C(C)C)cc1OCc1c(C)nc(-c2c(C)cccc2C)nc1N1CCNC(C)C1

HCID178424917

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C(C)C)cc1OCc1c(C)nc(-c2c(C)cccc2C)nc1N1CCN(CC(N)=O)C(C)C1

HCID76557866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c91050be1a5540c8b4d81e0e536d1d78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[Br:35][CH2:36][C:37](=[O:38])[NH2:39].[CH3:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([N:28]3[CH2:29][CH:30]([CH3:34])[NH:31][CH2:32][CH2:33]3)[c:12]([CH2:16][O:17][c:18]3[c:19]([CH3:27])[cH:20][cH:21][c:22]([CH:24]([CH3:25])[CH3:26])[cH:23]3)[c:13]([CH3:15])[n:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[CH3:1][c:2]1[c:3](-[c:9]2[n:10][c:11]([N:28]3[CH2:29][CH:30]([CH3:34])[N:31]([CH2:36][C:37](=[O:38])[NH2:39])[CH2:32][CH2:33]3)[c:12]([CH2:16][O:17][c:18]3[c:19]([CH3:27])[cH:20][cH:21][c:22]([CH:24]([CH3:25])[CH3:26])[cH:23]3)[c:13]([CH3:15])[n:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1