HRID698586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID6331

Borane

H3B

结构：Cc1cc(N(CCCN)CC(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1

HCID9910949

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N(CCCNCc2ccccc2)CC(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1

HCID9893125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2eea63732bfb4c40ac7e0fa1e1a2f452
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH3:47].[CH3:48][OH:49].[CH:33](=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[NH2:1][CH2:2][CH2:3][CH2:4][N:5]([CH2:6][C:7](=[O:8])[NH:9][CH2:10][CH2:11][c:12]1[cH:13][c:14]2[c:15]([cH:19][cH:20]1)[O:16][CH2:17][O:18]2)[c:21]1[n:22][c:23](-[n:28]2[cH:29][n:30][cH:31][cH:32]2)[n:24][c:25]([CH3:27])[cH:26]1.[n:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[NH:1]([CH2:2][CH2:3][CH2:4][N:5]([CH2:6][C:7](=[O:8])[NH:9][CH2:10][CH2:11][c:12]1[cH:13][c:14]2[c:15]([cH:19][cH:20]1)[O:16][CH2:17][O:18]2)[c:21]1[n:22][c:23](-[n:28]2[cH:29][n:30][cH:31][cH:32]2)[n:24][c:25]([CH3:27])[cH:26]1)[CH2:33][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1