HRID1219971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID79208

3-(4-Methyl-1-piperazine)propan-1-ol

C8H18N2O

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(F)c(F)cc23)CC1

HCID59551691

1,1-Dimethylethyl 4-(6,7-difluoro-4-quinazolinyl)-1-piperidinecarboxylate

C18H21F2N3O2

PRODUCTS

生成物

结构：CN1CCN(CCCOc2cc3ncnc(C4CCN(C(=O)OC(C)(C)C)CC4)c3cc2F)CC1

HCID59551719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1274536c3ef4b2c93fbd34df84ade08
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

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