HRID2325256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7249

3,4-Dimethylphenol

C8H10O

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

HCID1969277

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

C21H15NO2

HCID12236540

2,3-dihydrobenzofuran-6-ol

C8H8O2

结构：O=C1C(=O)N(C(c2ccccc2)c2ccccc2)c2ccc(F)cc21

HCID67356526

未命名化合物

PRODUCTS

生成物

结构：O=C1N(C(c2ccccc2)c2ccccc2)c2ccc(F)cc2C1(O)c1cc2c(cc1O)OCC2

HCID68598765

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba3bbe92eac44583acfda8a264c7fee3
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

[CH3:11][c:12]1[c:13]([CH3:14])[cH:15][c:16]([OH:17])[cH:18][cH:19]1.[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][c:7]([OH:10])[cH:8][cH:9]2.[c:20]1([CH:26]([N:27]2[C:28](=[O:38])[C:29](=[O:37])[c:30]3[cH:31][c:32]([F:36])[cH:33][cH:34][c:35]32)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1.[c:45]1([CH:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[N:53]2[c:54]3[c:55]([cH:56][cH:57][cH:58][cH:59]3)[C:60](=[O:61])[C:62]2=[O:63])[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][c:7]([OH:10])[c:8]([C:29]1([OH:37])[C:28](=[O:38])[N:27]([CH:26]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:35]3[c:30]1[cH:31][c:32]([F:36])[cH:33][cH:34]3)[cH:9]2