HRID1537310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID18947655

1-(1,3-Oxazol-2-yl)methanamine

C4H6N2O

结构：COC(=O)C1CC(N(CC(C)C)C(=O)c2cnc(C(C)(C)C)nc2Cl)CN(C(=O)OC(C)(C)C)C1

HCID72269210

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(N(CC(C)C)C(=O)c2cnc(C(C)(C)C)nc2NCc2ncco2)CN(C(=O)OC(C)(C)C)C1

HCID178498406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24ae4d5eef0845a4b224f52fb034ee01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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