HRID180804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID587204

3,5-Difluorobenzonitrile

C7H3F2N

结构：Fc1cc2nc(-c3ccc(Cl)cc3)n(C(COCC3CCCCC3)C3CCCCC3)c2cc1F

HCID66619202

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(F)c(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1

HCID66619225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01b88301af174cb88fe519726a7a989c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][O:15][CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:29][c:30]([F:34])[c:31]([F:33])[cH:32]3)[cH:6][cH:7]1.[F:35][c:36]1[cH:37][c:38]([C:39]#[N:40])[cH:41][c:42]([F:44])[cH:43]1.[N:64]([C:65]([O:66][C:67]([CH3:68])([CH3:69])[CH3:70])=[O:71])=[N:72][C:73]([O:74][C:75]([CH3:76])([CH3:77])[CH3:78])=[O:79].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][O:15][c:43]2[c:36]([F:35])[cH:37][c:38]([C:39]#[N:40])[cH:41][c:42]2[F:44])[CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:29][c:30]([F:34])[c:31]([F:33])[cH:32]3)[cH:6][cH:7]1