HRID1240389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7902

Dimethylaminoethanol

C4H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID53417067

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(c2cc3ccccc3cn2)CC1

HCID57690803

tert-Butyl 4-(isoquinolin-3-yl)piperazine-1-carboxylate

C18H23N3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cc3ccccc3c(C(=O)c3cccnc3F)n2)CC1

HCID57690626

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcfb9b5841044a189b33c127c8c9c27e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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