HRID678235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7249

3,4-Dimethylphenol

C8H10O

HCID7808

4-Bromophenol

C6H5BrO

结构：O=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21

HCID1969277

1-(diphenylmethyl)-1H-indole-2,3-dione

C21H15NO2

结构：O=C1C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21

HCID67356488

未命名化合物

PRODUCTS

生成物

结构：O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C1(O)c1cc(Br)ccc1O

HCID67357135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-388c824d9e6c4a1fb9d7d1b906ee5edd
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:8])[cH:6][cH:7]1.[CH3:9][c:10]1[c:11]([CH3:12])[cH:13][c:14]([OH:15])[cH:16][cH:17]1.[F:18][C:19]([c:20]1[cH:21][cH:22][c:23]([CH2:25][N:26]2[C:27](=[O:36])[C:28](=[O:35])[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]32)[o:24]1)([F:37])[F:38].[c:39]1([CH:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[N:47]2[c:48]3[c:49]([cH:50][cH:51][cH:52][cH:53]3)[C:54](=[O:55])[C:56]2=[O:57])[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[Br:1][c:2]1[cH:3][c:4]([C:28]2([OH:35])[C:27](=[O:36])[N:26]([CH2:25][c:23]3[cH:22][cH:21][c:20]([C:19]([F:18])([F:37])[F:38])[o:24]3)[c:34]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[c:5]([OH:8])[cH:6][cH:7]1