HRID2154293

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID10256

1H-Indole-3-carboxaldehyde

C9H7NO

HCID28123

Tetrahydroborate

H4B-

结构：NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1

HCID21985008

未命名化合物

PRODUCTS

生成物

结构：c1cnc2c(c1)CCCC2N(Cc1ccc(CNCc2c[nH]c3ccccc23)cc1)Cc1nc2ccccc2[nH]1

HCID22018789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-895f8d97ba9e4434b8ab18984a0017d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:42].[CH3:44][OH:45].[Na+:43].[nH:12]1[c:13]([CH2:21][N:22]([CH2:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][NH2:31])[cH:28][cH:29]2)[CH:32]2[CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][n:40][c:41]32)[n:14][c:15]2[c:16]1[cH:17][cH:18][cH:19][cH:20]2.[nH:1]1[cH:2][c:3]([CH:10]=[O:11])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([CH2:10][NH:31][CH2:30][c:27]2[cH:26][cH:25][c:24]([CH2:23][N:22]([CH2:21][c:13]3[nH:12][c:16]4[c:15]([n:14]3)[cH:20][cH:19][cH:18][cH:17]4)[CH:32]3[CH2:33][CH2:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][n:40][c:41]43)[cH:29][cH:28]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12