HRID90805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID13019

4-Hydroxybenzonitrile

C7H5NO

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC(O)CC1

HCID44199316

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(OC2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)CC2)cc1

HCID57791787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d924e345510147779171d54c3db8d46f
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

[Cl:73][CH2:74][Cl:75].[F:10][c:11]1[c:12]([C:29](=[O:30])[N:31]2[CH2:32][CH2:33][CH:34]([OH:37])[CH2:35][CH2:36]2)[cH:13][c:14]([CH2:15][c:16]2[n:17][nH:18][c:19](=[O:26])[c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[cH:27][cH:28]1.[N:57]([C:58]([O:59][C:60]([CH3:61])([CH3:62])[CH3:63])=[O:64])=[N:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[N:9])[cH:6][cH:7]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]#[N:9])[cH:6][cH:7]1)[CH:34]1[CH2:33][CH2:32][N:31]([C:29]([c:12]2[c:11]([F:10])[cH:28][cH:27][c:14]([CH2:15][c:16]3[n:17][nH:18][c:19](=[O:26])[c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]34)[cH:13]2)=[O:30])[CH2:36][CH2:35]1