HRID2324522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6422

未命名化合物

HCID11335

2,6-Dimethylphenol

C8H10O

结构：Cc1cc(C)cc(C2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c1

HCID58914682

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(C2(c3cc(C)c(O)c(C)c3)C(=O)N(Cc3ccccc3)c3ccccc32)c1

HCID58914754

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc00188b4cb74b1793d419db1001960d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[O:26])[C:10]([OH:17])([c:18]2[cH:19][c:20]([CH3:25])[cH:21][c:22]([CH3:24])[cH:23]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]21.[CH3:27][c:28]1[c:29]([OH:35])[c:30]([CH3:34])[cH:31][cH:32][cH:33]1.[OH2:36].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[C:9](=[O:26])[C:10]([c:18]2[cH:19][c:20]([CH3:25])[cH:21][c:22]([CH3:24])[cH:23]2)([c:32]2[cH:31][c:30]([CH3:34])[c:29]([OH:35])[c:28]([CH3:27])[cH:33]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]21