HRID2341722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID9708

3-Chloro-4-fluoroaniline

C6H5ClFN

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCCC1COc1cc(OCc2ccccc2)cc2ncnc(Cl)c12

HCID178451704

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1cc(OCc2ccccc2)cc2ncnc(Nc3ccc(F)c(Cl)c3)c12

HCID178451705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2325b47bcaa44e0acb491ac0414afb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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