HRID676254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID11789625

4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C5H4ClN5

结构：NC1Cc2ccccc2N(S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C1

HCID59400161

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(NC2Cc3ccccc3N(S(=O)(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)C2)c2cn[nH]c2n1

HCID59400215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80e37a90e6e7447f947db68661da68fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:52]([N:53]([CH3:54])[CH3:55])(=[O:56])[CH3:57].[CH:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH2:47][CH3:48])([CH3:49])[CH3:50].[Cl:31][c:32]1[c:33]2[c:34]([n:35][c:36]([NH2:38])[n:37]1)[nH:39][n:40][cH:41]2.[NH2:1][CH:2]1[CH2:3][N:4]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:19][cH:20]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[CH2:11]1.[OH2:51]>>[NH:1]([CH:2]1[CH2:3][N:4]([S:12](=[O:13])(=[O:14])[c:15]2[cH:16][cH:17][c:18]([NH:21][C:22](=[O:23])[NH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:19][cH:20]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[CH2:11]1)[c:32]1[c:33]2[c:34]([n:35][c:36]([NH2:38])[n:37]1)[nH:39][n:40][cH:41]2