HRID288513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID70324

4-tert-Butylbenzaldehyde

C11H14O

HCID2724942

未命名化合物

结构：CC(C)(C)NC(=O)C(N)Cc1ccc(OCc2ccccc2)cc1

HCID22255921

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NCc1ccc(C(C)(C)C)cc1

HCID18352019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a734a23aaa4446f6bc306306e5706f84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([CH:34]=[O:35])[cH:36][cH:37]1.[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[Cl:57][CH2:58][Cl:59].[ClH:1].[NH2:2][CH:3]([C:4](=[O:5])[NH:6][C:7]([CH3:8])([CH3:9])[CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]1.[Na+:51].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[ClH:1].[NH:2]([CH:3]([C:4](=[O:5])[NH:6][C:7]([CH3:8])([CH3:9])[CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]1)[CH2:34][c:33]1[cH:32][cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:37][cH:36]1