HRID168553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID12069231

8-OXA-3-AZABICYCLO[3.2.1]OCTANE

C6H11NO

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(Cl)nc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID86645856

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(N2CC3CCC(C2)O3)n1

HCID67546680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-543a3c073e5b4588a2f283f8a9417207
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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