查数据/反应详情

HRID180014

反应详情

EQUATION

反应方程式

HRID 180014 的结构方程式

REACTANTS

反应物

2

结构：CC(C)c1cccc(C(C)C)c1N

2,6-Diisopropylaniline

C12H19N

结构：CC(C)(C)c1ccc2c(c1)C(=O)OC2=O

4-tert-Butylphthalic anhydride

C12H12O3

PRODUCTS

生成物

1

结构：CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(C(C)(C)C)cc2C1=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb161878a8494352a2d2998e3c15a72d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:14][cH:15]1)[C:9](=[O:10])[O:11][C:12]2=[O:13].[CH:16]([CH3:17])([CH3:18])[c:19]1[c:20]([NH2:21])[c:22]([CH:26]([CH3:27])[CH3:28])[cH:23][cH:24][cH:25]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]2[c:8]([cH:14][cH:15]1)[C:9](=[O:11])[N:21]([c:20]1[c:19]([CH:16]([CH3:17])[CH3:18])[cH:25][cH:24][cH:23][c:22]1[CH:26]([CH3:27])[CH3:28])[C:12]2=[O:13]

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