HRID815893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

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+

HCID67320755

1-Cyclopropyl-1,2,3,4-tetrahydroquinoxaline

C11H14N2

HCID67368659

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccnc1Oc1cc(Cl)c(Br)cc1Cl)N1CCN(C2CC2)c2ccccc21

HCID59294468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a04bb6aa92b49429eeb4aa0724e8382
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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