HRID1555633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID16215867

4-Bromo-3-methoxybenzoic acid

C8H7BrO3

HCID58550738

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)ccc1Br

HCID58551290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03c9ea6739014f2e8d21f2c43fa64460
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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