HRID2155162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2879

p-Cresol

C7H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID67974340

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(OCc2cc3n(n2)CCN(c2ccc(F)cc2)C3=O)cc1

HCID57410027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3934c58c48294d348b3f0d0f13b01920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:36][c:37]1[cH:38][cH:39][c:40]([OH:41])[cH:42][cH:43]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[F:17][c:18]1[cH:19][cH:20][c:21]([N:24]2[C:25](=[O:35])[c:26]3[n:27]([n:30][c:31]([CH2:33][OH:34])[cH:32]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1.[N:1]([C:2]([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:8])=[N:9][C:10]([O:11][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[F:17][c:18]1[cH:19][cH:20][c:21]([N:24]2[C:25](=[O:35])[c:26]3[n:27]([n:30][c:31]([CH2:33][O:34][c:40]4[cH:39][cH:38][c:37]([CH3:36])[cH:43][cH:42]4)[cH:32]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1