HRID2320890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID9996

Ethanamine, 2-fluoro-

C2H6FN

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：CCOC(=O)c1cc(OCC(=O)N2CCCC2C(=O)O)n(-c2ccccc2)n1

HCID66854408

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(OCC(=O)N2CCCC2C(=O)NCCF)n(-c2ccccc2)n1

HCID178469323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feeef7596f3149ad9fcfb5ee949b21ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:9]([O:11][CH2:12][C:13](=[O:14])[N:15]2[CH:16]([C:20](=[O:21])[OH:22])[CH2:17][CH2:18][CH2:19]2)[cH:10]1.[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[Cl:72][CH2:73][Cl:74].[ClH:62].[F:63][CH2:64][CH2:65][NH2:66].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[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>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:9]([O:11][CH2:12][C:13](=[O:14])[N:15]2[CH:16]([C:20](=[O:22])[NH:66][CH2:65][CH2:64][F:63])[CH2:17][CH2:18][CH2:19]2)[cH:10]1