HRID158624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID68486009

未命名化合物

HCID178437661

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3cccc4ccccc34)c2F)[nH]1

HCID178437653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c6d44d554904694a8bcc198c3beee73
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

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