HRID951569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID98210

3-Pyrrolidinol

C4H9NO

结构：Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(Cl)nc32)c(F)cc1F

HCID11089970

未命名化合物

PRODUCTS

生成物

HCID7914

Isopropyl ether

C6H14O

结构：Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCC(O)C4)nc32)c(F)cc1F

HCID54250898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26536f47b1004854b3599fd59d8c8dc5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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