HRID699865

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

HCID1512654

4-(Pyridin-4-yl)aniline

C11H10N2

HCID4641409

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

C10H15N6O+

HCID21905636

N-(tert-Butoxycarbonyl)-N-phenylglycine

C13H17NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(CC(=O)Nc1ccc(-c2ccncc2)cc1)c1ccccc1

HCID69078964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd4c1a96b21643a8b502112b20e3e9d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:28][C:29](=[O:30])[OH:31].[CH3:48][N:49]([C:50](=[N+:51]([CH3:52])[CH3:53])[O:54][n:55]1[c:56]2[n:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1)[CH3:64].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[OH2:70].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([NH2:13])[cH:11][cH:12]2)[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]([NH:13][C:29]([CH2:28][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:30])[cH:11][cH:12]2)[cH:5][cH:6]1