HRID680969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID70048

Norcyclizine

C17H20N2

HCID51039956

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Br)ccc1NC(=O)COCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

HCID51040586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eda051a443e34b9b86df80db41c8cf1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[O:19][CH3:20])[c:5]([NH:8][C:9]([CH2:10][O:11][CH2:12][C:13](=[O:14])[OH:15])=[O:16])[cH:6][cH:7]1.[C:51](=[O:52])([O-:53])[OH:54].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[Cl:26][C:27]([C:28]([Cl:29])=[O:30])=[O:31].[Na+:55].[O:21]=[CH:22][N:23]([CH3:24])[CH3:25]>>[Br:1][c:2]1[cH:3][c:4]([C:17](=[O:18])[O:19][CH3:20])[c:5]([NH:8][C:9]([CH2:10][O:11][CH2:12][C:13](=[O:15])[N:48]2[CH2:47][CH2:46][N:45]([CH:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:50][CH2:49]2)=[O:16])[cH:6][cH:7]1