HRID1131777

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID22052056

B-[2-Chloro-4-(difluoromethoxy)phenyl]boronic acid

C7H6BClF2O3

HCID22052065

2-(Benzyloxy)-4-chloro-3-nitropyridine

C12H9ClN2O3

PRODUCTS

生成物

结构：O=[N+]([O-])c1c(-c2ccc(OC(F)F)cc2Cl)ccnc1OCc1ccccc1

HCID22052047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2fc60786d23453293733a0c43ce51b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][c:13]([Cl:18])[c:14]1[N+:15](=[O:16])[O-:17].[CH3:33][O:34][CH2:35][CH2:36][O:37][CH3:38].[Cl:19][c:20]1[c:21]([B:30]([OH:31])[OH:32])[cH:22][cH:23][c:24]([O:26][CH:27]([F:28])[F:29])[cH:25]1.[OH2:39].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][c:13](-[c:21]2[c:20]([Cl:19])[cH:25][c:24]([O:26][CH:27]([F:28])[F:29])[cH:23][cH:22]2)[c:14]1[N+:15](=[O:16])[O-:17]