HRID947636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID76406

N-Acetyl-beta-alanine

C5H9NO3

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

结构：Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCCCC1

HCID67322397

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCC(=O)Nc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1NC1CCCCC1

HCID67346244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82eb7268f1bc4c83a61d230e0c619968
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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