HRID297357

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID81531

Diisopropylethylamine

C8H19N

HCID14999710

未命名化合物

结构：CC1(C)OC2C(CF)CC(n3cnc4c(Cl)ncnc43)C2O1

HCID178431224

未命名化合物

PRODUCTS

生成物

结构：CCC(Cc1sccc1Cl)Nc1ncnc2c1ncn2C1CC(CF)C2OC(C)(C)OC21

HCID178442022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c6a9b9a97004cbda9b707429ec5b360
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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