HRID1237422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14221819

1,1-Dimethylethyl N-(1-oxopropyl)carbamate

C8H15NO3

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1C=CC(n2cnc3c(Cl)nc(Cl)nc32)C1

HCID178454329

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)N(C(=O)OC(C)(C)C)C1C=CC(n2cnc3c(Cl)nc(Cl)nc32)C1

HCID178460315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10e42d7626d94c3eb128b59b135bca2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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