HRID105121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID6422

未命名化合物

HCID62375

Benzene, (dimethoxymethyl)-

C9H12O2

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)N1C(CNc2ccccc2)COC1(C)C

HCID67270313

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(CN(Cc2ccccc2)c2ccccc2)COC1(C)C

HCID67270588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-577bfbca9db840a48e57cbd69b5d0778
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:21])([CH3:22])[O:10][CH2:11][CH:12]1[CH2:13][NH:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:23][O:24][CH:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][CH3:33].[Cl:55][CH2:56][CH2:57][Cl:58].[Na+:54].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9]([CH3:21])([CH3:22])[O:10][CH2:11][CH:12]1[CH2:13][N:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1