查数据/反应详情

HRID1207840

反应详情

EQUATION

反应方程式

HRID 1207840 的结构方程式

REACTANTS

反应物

2

结构：Cc1ccc(O)c(C(=O)O)c1

5-Methylsalicylic acid

C8H8O3

结构：CC(C)(C)c1cc(N)cc(C(C)(C)C)c1

3,5-Di-tert-butylaniline

C14H23N

PRODUCTS

生成物

1

结构：Cc1ccc(O)c(C(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b19a03f0ebe497eae9b517b32d64b4a
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

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

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