HRID157183

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

HCID9115273

2,3-dihydrobenzo[b][1,4]dioxin-6-ol

C8H8O3

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)OCCO2)OCCO3

HCID68601804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-208a7e969b3847078da860ccda1833c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:12][c:13]1[c:14]([CH3:15])[cH:16][c:17]([OH:18])[cH:19][cH:20]1.[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([CH2:28][N:29]2[C:30](=[O:43])[C:31](=[O:42])[c:32]3[cH:33][c:34]4[c:35]([cH:36][c:37]32)[O:38][CH2:39][CH2:40][O:41]4)[o:27]1)([F:44])[F:45].[O:1]1[c:2]2[c:3]([cH:7][c:8]([OH:11])[cH:9][cH:10]2)[O:4][CH2:5][CH2:6]1.[c:46]1([CH:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[N:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[C:61](=[O:62])[C:63]2=[O:64])[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[O:1]1[c:2]2[c:3]([cH:7][c:8]([OH:11])[c:9]([C:31]3([OH:42])[C:30](=[O:43])[N:29]([CH2:28][c:26]4[cH:25][cH:24][c:23]([C:22]([F:21])([F:44])[F:45])[o:27]4)[c:37]4[c:32]3[cH:33][c:34]3[c:35]([cH:36]4)[O:38][CH2:39][CH2:40][O:41]3)[cH:10]2)[O:4][CH2:5][CH2:6]1