HRID2128349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID5142091

O-(Tetrahydro-2H-pyran-2-yl)hydroxylamine

C5H11NO2

结构：O=C(O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1CCCO

HCID68665951

未命名化合物

PRODUCTS

生成物

结构：O=C(NOC1CCCCO1)c1ncc2c(ccn2Cc2ccc(F)cc2)c1CCCO

HCID86602111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd39c56a2db744a891fa733a58e6ea30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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