HRID1229100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COc1cc2ncnc(Oc3cccc(N)c3)c2cc1OC

HCID49841002

未命名化合物

反应SMILES：CC(C)(CN1CCOCC1)c1cc(NC(=O)Oc2ccccc2)no1

HCID66876285

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)CN5CCOCC5)on4)c3)c2cc1OC

HCID58267898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4a90dafd7c1a4651aab0f5da58df9dde
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

[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:1][C:2]([CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1)([CH3:10])[c:11]1[cH:12][c:13]([NH:16][C:17]([O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[O:25])[n:14][o:15]1.[CH3:35][O:36][c:37]1[cH:38][c:39]2[c:40]([O:49][c:50]3[cH:51][c:52]([NH2:53])[cH:54][cH:55][cH:56]3)[n:41][cH:42][n:43][c:44]2[cH:45][c:46]1[O:47][CH3:48].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34]>>[CH3:1][C:2]([CH2:3][N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1)([CH3:10])[c:11]1[cH:12][c:13]([NH:16][C:17](=[O:25])[NH:53][c:52]2[cH:51][c:50]([O:49][c:40]3[c:39]4[cH:38][c:37]([O:36][CH3:35])[c:46]([O:47][CH3:48])[cH:45][c:44]4[n:43][cH:42][n:41]3)[cH:56][cH:55][cH:54]2)[n:14][o:15]1