HRID143659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CN(C)CCNc1nc(-c2cccc(C(=O)O)c2)c2c(n1)N(c1c(F)cccc1F)C(=O)NC2

HCID57530501

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNc1nc(-c2cccc(C(=O)N(C)C)c2)c2c(n1)N(c1c(F)cccc1F)C(=O)NC2

HCID59208052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7aeb6d37c834bd39e49fc589d55673f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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