HRID2335272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1

HCID44612616

未命名化合物

HCID50986551

3-(Propan-2-yl)-5-(trichloromethyl)-1,2,4-oxadiazole

C6H7Cl3N2O

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)c5nc(C(C)C)no5)CC4)cc3F)ncc2Cl)n[nH]1

HCID58255002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44bf8072e1424b6190db19ada4fec21b
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

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