HRID1144844

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

HCID8857

Ethyl acetate

C4H8O2

HCID68263

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

C7H6N4O

HCID23506927

4-(1H-Imidazol-2-yl)aniline

C9H9N3

HCID59443280

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2Cc3cc(CNC(=O)Nc4ccc(-c5ncc[nH]5)cc4)ccc3C2=O)C(=O)N1

HCID46198727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8021e565b5ec4957b580a6651ce41e8b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[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:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:50].[nH:38]1[c:39](-[c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][cH:48]2)[n:40][cH:41][cH:42]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:49][c:46]1[cH:45][cH:44][c:43](-[c:39]2[nH:38][cH:42][cH:41][n:40]2)[cH:48][cH:47]1