HRID1571299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10898

2-Bromo-1-ethanol

C2H5BrO

结构：O=C(Nc1ccc2nc(NC3CCc4ccccc43)ccc2c1)NC1CCNCC1

HCID74953961

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2nc(NC3CCc4ccccc43)ccc2c1)NC1CCN(CCO)CC1

HCID74954586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59e0db1b323448f69b46553d6754153f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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