HRID701977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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+

HCID22709417

2-Hydroxy-4,4-dimethylpentanoic acid

C7H14O3

结构：Oc1ccccc1-c1nc(N2CCNCC2)c2cc(F)ccc2n1

HCID136121527

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CC(O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3ccc(F)cc23)CC1

HCID136366637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a644cb85044c4ce4885a15b51f00bbcb
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

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