HRID119925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID68263

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

C7H6N4O

HCID13150573

3-[(Pyridin-2-yl)oxy]aniline

C11H10N2O

HCID59443280

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2Cc3cc(CNC(=O)Nc4cccc(Oc5ccccn5)c4)ccc3C2=O)C(=O)N1

HCID46198379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b40de0751db64e139d085b56ac42a704
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:26](=[O:27])([n:28]1[cH:29][cH:30][n:31][cH:32]1)[n:33]1[cH:34][cH:35][n:36][cH:37]1.[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[NH2:6][CH2:7][c:8]1[cH:9][c:10]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[N:12]([CH:18]1[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]1)[CH2:11]2.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:52].[n:38]1[c:39]([O:44][c:45]2[cH:46][c:47]([NH2:51])[cH:48][cH:49][cH:50]2)[cH:40][cH:41][cH:42][cH:43]1>>[NH:6]([CH2:7][c:8]1[cH:9][c:10]2[c:14]([cH:15][cH:16]1)[C:13](=[O:17])[N:12]([CH:18]1[C:19](=[O:25])[NH:20][C:21](=[O:24])[CH2:22][CH2:23]1)[CH2:11]2)[C:26](=[O:27])[NH:51][c:47]1[cH:46][c:45]([O:44][c:39]2[n:38][cH:43][cH:42][cH:41][cH:40]2)[cH:50][cH:49][cH:48]1