HRID1133993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID15348

6-Amino-3-methylpyridine

C6H8N2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CC(C)OCC(Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)O

HCID76550461

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C(COC(C)C)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1

HCID76550339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-481cbf5509b6494a82b3cd8f17f08811
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

[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH3:51][c:52]1[cH:53][cH:54][c:55]([NH2:58])[n:56][cH:57]1.[Cl:25][c:26]1[c:27](-[n:32]2[n:33][cH:34][c:35]3[c:36]2[n:37][cH:38][n:39][c:40]3[O:41][CH:42]([C:43](=[O:44])[OH:45])[CH2:46][O:47][CH:48]([CH3:49])[CH3:50])[cH:28][cH:29][cH:30][cH:31]1.[Cl:68][CH2:69][Cl: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](-[n:32]2[n:33][cH:34][c:35]3[c:36]2[n:37][cH:38][n:39][c:40]3[O:41][CH:42]([C:43](=[O:45])[NH:58][c:55]2[cH:54][cH:53][c:52]([CH3:51])[cH:57][n:56]2)[CH2:46][O:47][CH:48]([CH3:49])[CH3:50])[cH:28][cH:29][cH:30][cH:31]1