HRID1566633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID75962

3-(Trifluoromethyl)benzylamine

C8H8F3N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID21982323

1H-Indazole-4-carboxylic acid

C8H6N2O2

PRODUCTS

生成物

结构：O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2[nH]ncc12

HCID58138854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd89a1e92f4a4c419888ef418597908b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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