HRID165587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID14487

Diisobutylaluminum hydride

C8H19Al

结构：COCCOc1nc(N)c2nc(Br)n(Cc3cccc(C(=O)OC)c3)c2n1

HCID57816862

未命名化合物

PRODUCTS

生成物

结构：COCCOc1nc(N)c2nc(Br)n(Cc3cccc(CO)c3)c2n1

HCID57816760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a9fd3fb12334900a437968086734e43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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