HRID1552672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID9881809

未命名化合物

HCID18369570

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(COc2cccc(CCNC(=O)C(F)(F)F)c2)cc(-c2cccc(C#N)c2)c1

HCID86757788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-382f7319bd2044cc9c4a13b1ea68ae1f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:36][O:37][C:38]([c:39]1[cH:40][c:41](-[c:47]2[cH:48][c:49]([C:53]#[N:54])[cH:50][cH:51][cH:52]2)[cH:42][c:43]([CH2:45][OH:46])[cH:44]1)=[O:55].[Cl-:56].[F:20][C:21]([C:22](=[O:23])[NH:24][CH2:25][CH2:26][c:27]1[cH:28][c:29]([OH:33])[cH:30][cH:31][cH:32]1)([F:34])[F:35].[NH4+:57].[O:58]=[C:59]([O:60][CH2:61][CH3:62])[N:63]=[N:64][C:65]([O:66][CH2:67][CH3:68])=[O:69].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[F:20][C:21]([C:22](=[O:23])[NH:24][CH2:25][CH2:26][c:27]1[cH:28][c:29]([O:33][CH2:45][c:43]2[cH:42][c:41](-[c:47]3[cH:48][c:49]([C:53]#[N:54])[cH:50][cH:51][cH:52]3)[cH:40][c:39]([C:38]([O:37][CH3:36])=[O:55])[cH:44]2)[cH:30][cH:31][cH:32]1)([F:34])[F:35]