HRID1137870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID75555

未命名化合物

HCID3838134

3-(Boc-amino)-1-propanol

C8H17NO3

反应SMILES：COc1cccc(O)c1-c1cc(Nc2cnc(Br)cn2)n[nH]1

HCID136337811

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cccc(OCCCNC(=O)OC(C)(C)C)c1-c1cc(Nc2cnc(Br)cn2)n[nH]1

HCID86654391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ed3575fe04fb48e09626a801f12fbbaa
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

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