HRID678538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID54593086

未命名化合物

HCID66649357

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(C)n1ccc2c(NC(=O)CC3(O)CCCCCC3)c(C)ccc2c1=O

HCID66648991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27a5662d15ec438993d452970f6d592b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:20])[c:10]2[cH:11][cH:12][c:13]([CH3:19])[c:14]([NH2:18])[c:15]2[cH:16][cH:17]1.[CH2:71]([Cl:72])[Cl:73].[CH3:40][N+:41]([CH3:42])=[C:43]([N:44]([CH3:45])[CH3:46])[O:47][n:48]1[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[OH:21][C:22]1([CH2:29][C:30](=[O:31])[OH:32])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:20])[c:10]2[cH:11][cH:12][c:13]([CH3:19])[c:14]([NH:18][C:30]([CH2:29][C:22]3([OH:21])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)=[O:31])[c:15]2[cH:16][cH:17]1