HRID1148267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID12069231

8-OXA-3-AZABICYCLO[3.2.1]OCTANE

C6H11NO

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(OCc3ccc(CCl)cc3)cccc2C1=O

HCID67335016

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(OCc3ccc(CN4CC5CCC(C4)O5)cc3)cccc2C1=O

HCID67333694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8a5c37db61f4136bca4ab660da4dba3
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

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