HRID293069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：O=S(=O)(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1

HCID22710571

5-Chloro-2-(piperazine-1-sulfonyl)-1H-indole

C12H14ClN3O2S

HCID67104487

4-(1-Methyl-6-oxo-1,6-dihydropyridazin-3-yl)benzoic acid

C12H10N2O3

PRODUCTS

生成物

结构：Cn1nc(-c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cc2)ccc1=O

HCID11156515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adfdc7d6408b48f89bd771b8064d2469
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

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