HRID118662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1

HCID178458627

未命名化合物

HCID178493072

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1

HCID178493087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2731fc9d6c2741718f8194438d5fbab2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:53]([OH:54])[CH2:55][CH2:56][CH3:57].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:17][c:18]1[c:19]([NH:34][c:35]2[n:36][nH:37][c:38]([O:40][CH:41]([CH3:42])[CH3:43])[cH:39]2)[n:20][c:21]([NH:24][CH:25]([CH3:26])[c:27]2[n:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:22][cH:23]1.[Cl:1][c:2]1[n:3][c:4]([NH:5][c:6]2[cH:7][c:8]([O:9][CH3:10])[nH:11][n:12]2)[c:13]([Cl:14])[cH:15][n:16]1>>[Cl:17][c:18]1[c:19]([NH:34][c:35]2[n:36][nH:37][c:38]([O:40][CH3:41])[cH:39]2)[n:20][c:21]([NH:24][CH:25]([CH3:26])[c:27]2[n:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:22][cH:23]1