HRID1209073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID688396

1-[(tert-Butoxycarbonyl)amino]cyclopropane-1-carboxylic acid

C9H15NO4

结构：CC(O)C(=O)N1CC(c2ccc3c(c2)OCCc2sc(-c4ncnn4C(C)C)nc2-3)C1

HCID67050580

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C(=O)C4(NC(=O)OC(C)(C)C)CC4)C3)ccc1-2

HCID67050572

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06484d0d33e74e3aaf3eb9b8585d6cc3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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