HRID805022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(Cl)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1

HCID59414440

未命名化合物

HCID59414529

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(-c3nc(NC(C)C4CCC(O)CC4)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1

HCID72277807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91aa4bf01c9245b58942ecc797a22469
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH:16]([N:17]([CH:18]([CH3:19])[CH3:20])[CH2:21][CH3:22])([CH3:23])[CH3:24].[Cl:25][c:26]1[n:27][cH:28][c:29]([C:55]#[N:56])[c:30](-[c:32]2[cH:33][n:34]([S:45](=[O:46])(=[O:47])[c:48]3[cH:49][cH:50][c:51]([CH3:52])[cH:53][cH:54]3)[c:35]3[n:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][c:40]23)[n:31]1.[NH2:1][CH:2]([CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]([OH:10])[CH2:8][CH2:9]1.[O:11]=[CH:12][N:13]([CH3:14])[CH3:15]>>[NH:1]([CH:2]([CH3:3])[CH:4]1[CH2:5][CH2:6][CH:7]([OH:10])[CH2:8][CH2:9]1)[c:26]1[n:27][cH:28][c:29]([C:55]#[N:56])[c:30](-[c:32]2[cH:33][n:34]([S:45](=[O:46])(=[O:47])[c:48]3[cH:49][cH:50][c:51]([CH3:52])[cH:53][cH:54]3)[c:35]3[n:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][c:40]23)[n:31]1