HRID105689

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(Cc2ccc(C(F)(F)F)o2)c2cc3c(cc21)OCCO3

HCID68598566

未命名化合物

PRODUCTS

生成物

结构：O=C1N(Cc2ccc(C(F)(F)F)o2)c2cc3c(cc2C1(O)c1cc2c(cc1O)OCC2)OCCO3

HCID67357433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ad369ebee384b5180ef7601e57c334f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:11][c:12]1[c:13]([CH3:14])[cH:15][c:16]([OH:17])[cH:18][cH:19]1.[F:20][C:21]([c:22]1[cH:23][cH:24][c:25]([CH2:27][N:28]2[C:29](=[O:42])[C:30](=[O:41])[c:31]3[cH:32][c:33]4[c:34]([cH:35][c:36]32)[O:37][CH2:38][CH2:39][O:40]4)[o:26]1)([F:43])[F:44].[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: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:30]1([OH:41])[C:29](=[O:42])[N:28]([CH2:27][c:25]3[cH:24][cH:23][c:22]([C:21]([F:20])([F:43])[F:44])[o:26]3)[c:36]3[c:31]1[cH:32][c:33]1[c:34]([cH:35]3)[O:37][CH2:38][CH2:39][O:40]1)[cH:9]2