查数据/反应详情

HRID2143824

反应详情

EQUATION

反应方程式

HRID 2143824 的结构方程式

REACTANTS

反应物

2

结构：CO

Methanol

CH4O

结构：Cc1ccc(C2c3c(C)c(NC(=O)c4ccc(F)cc4)c(C)c(C)c3OC2(C)C)cc1

未命名化合物

PRODUCTS

生成物

1

结构：Cc1ccc(C2c3c(C)c(NCc4ccc(F)cc4)c(C)c(C)c3OC2(C)C)cc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8c91d0d0f394ded8144860fc4986833
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:32][OH:33].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([CH3:29])[c:11]([CH3:28])[c:12]3[c:13]([c:26]2[CH3:27])[CH:14]([c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[C:15]([CH3:17])([CH3:18])[O:16]3)[cH:30][cH:31]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:8][c:9]2[c:10]([CH3:29])[c:11]([CH3:28])[c:12]3[c:13]([c:26]2[CH3:27])[CH:14]([c:19]2[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[C:15]([CH3:17])([CH3:18])[O:16]3)[cH:30][cH:31]1

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