HRID95218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID28123

Tetrahydroborate

H4B-

HCID589040

Indole-5-carboxaldehyde

C9H7NO

结构：NC(Cc1ccccc1)C(=O)N1CCN(Cc2ccccc2)CC1

HCID53409001

未命名化合物

PRODUCTS

生成物

结构：O=C(C(Cc1ccccc1)NCc1ccc2[nH]ccc2c1)N1CCN(Cc2ccccc2)CC1

HCID67005761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bd6537e8c644350bf46566e15f46373
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH4-:36].[CH3:39][OH:40].[NH2:12][CH:13]([C:14](=[O:15])[N:16]1[CH2:17][CH2:18][N:19]([CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:20][CH2:21]1)[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Na+:37].[OH2:38].[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6]([CH:10]=[O:11])[cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6]([CH2:10][NH:12][CH:13]([C:14](=[O:15])[N:16]3[CH2:17][CH2:18][N:19]([CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[CH2:20][CH2:21]3)[CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:7][cH:8][c:9]12