HRID2148600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2755965

4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid

C10H17NO5

HCID4641409

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

C10H15N6O+

HCID16775732

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1

HCID57656874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0c6ca843a4c4b829814aba889b82135
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

[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH2:27][CH:28]([C:32](=[O:33])[OH:34])[O:29][CH2:30][CH2:31]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:2][c:3]1[cH:4][c:5]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:6][cH:7][c:8]1[Cl:9].[ClH:1].[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[n:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[Cl:2][c:3]1[cH:4][c:5]([NH:10][C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([C:32]([CH:28]3[CH2:27][N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30][O:29]3)=[O:33])[CH2:17][CH2:18]2)[cH:6][cH:7][c:8]1[Cl:9]