HRID702438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID14988399

1-Methylcyclobutan-1-amine

C5H11N

反应SMILES：O=C(N1CCOCC1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2nc(Cl)no2)C1

HCID58116540

未命名化合物

PRODUCTS

产物

反应SMILES：CC1(Nc2noc(C3CC(c4ccc(C(F)(F)F)cc4)CN(C(=O)N4CCOCC4)C3)n2)CCC1

HCID49819290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7c605ce81a8d450a9943c258d1445860
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

[CH3:31][C:32]1([NH2:36])[CH2:33][CH2:34][CH2:35]1.[CH3:37][CH2:38][OH:39].[Cl:1][c:2]1[n:3][o:4][c:5]([CH:7]2[CH2:8][N:9]([C:23](=[O:24])[N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH2:10][CH:11]([c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[CH2:12]2)[n:6]1>>[c:2]1([NH:36][C:32]2([CH3:31])[CH2:33][CH2:34][CH2:35]2)[n:3][o:4][c:5]([CH:7]2[CH2:8][N:9]([C:23](=[O:24])[N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[CH2:10][CH:11]([c:13]3[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]3)[CH2:12]2)[n:6]1