HRID799381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

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+

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CNCCN(C)C)n(CCC(=O)O)c2c1

HCID68509936

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCC(=O)N(CCN(C)C)Cc1ccccc1-3

HCID68502286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eccab57623da44fa9df361258084a4b8
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

[CH3:74][CH2:75][O:76][C:77]([CH3:78])=[O:79].[CH:1]1([c:7]2[c:8](-[c:25]3[c:26]([CH2:31][NH:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37])[cH:27][cH:28][cH:29][cH:30]3)[n:9]([CH2:20][CH2:21][C:22](=[O:23])[OH:24])[c:10]3[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:71][CH2:72][Cl:73].[ClH:80].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH:1]1([c:7]2[c:8]3[n:9]([c:10]4[cH:11][c:12]([C:16](=[O:17])[O:18][CH3:19])[cH:13][cH:14][c:15]24)[CH2:20][CH2:21][C:22](=[O:24])[N:32]([CH2:33][CH2:34][N:35]([CH3:36])[CH3:37])[CH2:31][c:26]2[c:25]-3[cH:30][cH:29][cH:28][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1