HRID98753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID14578674

tert-Butyl (2-methyl-1-oxopropan-2-yl)carbamate

C9H17NO3

结构：CC(C)C(N)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID22238798

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NCC(C)(C)NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

HCID69074256

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a76d541aeecd4953b04c84a0e3f85259
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:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30]([NH:31][C:32]([CH:33]=[O:34])([CH3:35])[CH3:36])=[O:37].[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].[Cl:52][CH2:53][Cl:54].[NH2:1][CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[Na+:51]>>[NH:1]([CH:2]([CH:3]([CH3:4])[CH3:5])[c:6]1[n:7][c:8]2[cH:9][c:10]([Cl:24])[cH:11][cH:12][c:13]2[c:14](=[O:23])[n:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:33][C:32]([NH:31][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:37])([CH3:35])[CH3:36]