HRID164652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13831

Tributylphosphine

C12H27P

HCID16756990

Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate

C13H18O4

结构：OCc1c(C(F)(F)F)cc(-c2ccc(OC(F)(F)F)cc2)nc1C1CC1

HCID21935660

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1ccc(OCc2c(C(F)(F)F)cc(-c3ccc(OC(F)(F)F)cc3)nc2C2CC2)cc1C

HCID86760272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a919576c1a0b42c3b8e49fe8ae8f55fc
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

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