HRID2326351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID22494327

未命名化合物

反应SMILES：CC(C)c1nnc(NS(=O)(=O)c2ccc(C3(CN)CCCCC3)cc2)s1

HCID59216853

未命名化合物

PRODUCTS

产物

反应SMILES：CCOc1cc(C(F)(F)F)ccc1C(=O)NCC1(c2ccc(S(=O)(=O)Nc3nnc(C(C)C)s3)cc2)CCCCC1

HCID16043214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-854853398ef04d639f42798d24f3e207
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]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1.[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[ClH:26].[NH2:27][CH2:28][C:29]1([c:35]2[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[NH:44][c:45]3[s:46][c:47]([CH:50]([CH3:51])[CH3:52])[n:48][n:49]3)[cH:39][cH:40]2)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:8])[NH:27][CH2:28][C:29]2([c:35]3[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[NH:44][c:45]4[s:46][c:47]([CH:50]([CH3:51])[CH3:52])[n:48][n:49]4)[cH:39][cH:40]3)[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]1