HRID318135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID123496

2-Acetoxyisobutyroyl chloride

C6H9ClO3

结构：Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CC3CNC3)n(C)c2n1

HCID59605459

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC(C)(C)C(=O)N1CC(Cc2nc3c(N4CCOCC4)nc(-n4c(C)nc5ccccc54)nc3n2C)C1

HCID59606028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f45085d37cf40239e1ac228b9aaa81d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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