HRID167594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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：CC(CO)(CC(N)Cc1ccc(-c2ccccc2)cc1)C(=O)OC1COC1

HCID77419092

未命名化合物

HCID178524807

未命名化合物

PRODUCTS

生成物

结构：CC(CO)(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1)C(=O)OC1COC1

HCID178459055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1731c760507746ea8e5a9dbd39f8f3a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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