HRID116909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7669

N-Methylbenzylamine

C8H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1cc(OCC2OC(n3cnc4c(Cl)ncnc43)C3OC(C)(C)OC23)no1

HCID86599713

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(OCC2OC(n3cnc4c(N(C)Cc5ccccc5)ncnc43)C3OC(C)(C)OC23)no1

HCID67150544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4310c3b7f4424d2e90a7c116d0e1ceb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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