HRID681793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2769634

4,5-dimethylthiophene-2-carboxylic acid

C7H8O2S

结构：COc1cccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)N)c1

HCID69053285

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NC(=O)c2cc(C)c(C)s2)c1

HCID72258645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff8d8b9e75044811bc7f99d071cc4926
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:30][c:31]1[cH:32][c:33]([C:37](=[O:38])[OH:39])[s:34][c:35]1[CH3:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH2:21])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH:21][C:37]([c:33]4[cH:32][c:31]([CH3:30])[c:35]([CH3:36])[s:34]4)=[O:38])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1