查数据/反应详情

HRID99626

反应详情

EQUATION

反应方程式

HRID 99626 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)OC(N)=O

tert-Butyl carbamate

C5H11NO2

结构：CC(=O)C1=C(c2ccc(F)cc2)c2ccc(Cl)cc2OC1(C)C

未命名化合物

PRODUCTS

生成物

1

结构：CC(=O)C1=C(c2ccc(F)cc2)c2ccc(NC(=O)OC(C)(C)C)cc2OC1(C)C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f760a0de651548619e3021aee3bde2d1
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:24]([NH2:25])([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[O:9][C:8]([CH3:12])([CH3:13])[C:7]([C:14]([CH3:15])=[O:16])=[C:6]2[c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1>>[c:2]1([NH:25][C:24]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[O:9][C:8]([CH3:12])([CH3:13])[C:7]([C:14]([CH3:15])=[O:16])=[C:6]2[c:17]1[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]1

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