HRID157196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID11671

2-Hydroxyisobutyric acid

C4H8O3

HCID81531

Diisopropylethylamine

C8H19N

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN)c1

HCID59455974

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)O)c1

HCID46861584

N-[[3-[[3-[[(5-Chloro-2-thienyl)sulfonyl]amino]-4-methoxy-1H-indazol-1-yl]methyl]phenyl]methyl]-2-hydroxy-2-methylpropanamide

C24H25ClN4O5S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec0d6084924a4152b3080ad5e947717a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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