HRID1136863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID3283

Diethyl Ether

C4H10O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID123589

2,5-Difluorobenzylamine

C7H7F2N

结构：CC(C)(C)OC(=O)N(Cc1cc(F)ccc1F)c1cncc(N2CCNCC2)n1

HCID69730478

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID9944328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f071cf46dd1543fda47fa9ee73c44c03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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