HRID149120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID676311

Tert-butyl (2-aminophenyl)carbamate

C11H16N2O2

HCID4641409

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

C10H15N6O+

HCID14722130

6-(Hydroxymethyl)pyridine-3-carboxylic acid

C7H7NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CO)nc1

HCID59225157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d52be5ae4f9d41f6815677ea31755e8f
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:14])[cH:10][cH:11][cH:12][cH:13]1)=[O:15].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:49][CH2:50][c:51]1[cH:52][cH:53][c:54]([C:57](=[O:58])[OH:59])[cH:55][n:56]1.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:14][C:57]([c:54]2[cH:53][cH:52][c:51]([CH2:50][OH:49])[n:56][cH:55]2)=[O:58])[cH:10][cH:11][cH:12][cH:13]1)=[O:15]