HRID938098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2782825

2,2-Difluoropropionic acid

C3H4F2O2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：COc1cccc(C(Oc2ccc3c(cnn3-c3ccc(Cl)cc3)c2)C(C)N)c1

HCID178490414

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(Oc2ccc3c(cnn3-c3ccc(Cl)cc3)c2)C(C)NC(=O)C(C)(F)F)c1

HCID72258598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbdffdf8635d46e89de90445c0f08d31
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:70][N:71]1[CH2:72][CH2:73][CH2:74][C:75]1=[O:76].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH2:21])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[F:30][C:31]([C:32](=[O:33])[OH:34])([CH3:35])[F:36].[OH2:77].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][C:46]([N:47]([CH3:48])[CH3:49])=[N+:50]([CH3:51])[CH3:52])[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH:21][C:32]([C:31]([F:30])([CH3:35])[F:36])=[O:33])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1