HRID103346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5c(cnn5C)c4)nc(Nc4ccc(C(N)=O)cc4)nc32)cc1

HCID68581628

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc2cc(Nc3nc(Nc4ccc(C(N)=O)cc4)nc4[nH]ccc34)ccc21

HCID25196228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84eb230d5988451bb8aabe0388591dd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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