HRID675587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID66029

1,2-Ethanediamine, N,N-dimethyl-N'-(phenylmethyl)-

C11H18N2

HCID2724942

未命名化合物

HCID4135879

3-(1H-indol-5-yl)benzaldehyde

C15H11NO

PRODUCTS

生成物

结构：CN(C)CCN(Cc1ccccc1)Cc1cccc(-c2ccc3[nH]ccc3c2)c1

HCID11703679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba9fb0b8e180494390883b4d77213b4c
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

[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[C:49](=[O:50])([OH:51])[O-:52].[CH2:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[NH:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH3:45][C:46](=[O:47])[OH:48].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Na+:14].[Na+:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[nH:15]1[cH:16][cH:17][c:18]2[cH:19][c:20](-[c:24]3[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31]3)[cH:21][cH:22][c:23]12>>[nH:15]1[cH:16][cH:17][c:18]2[cH:19][c:20](-[c:24]3[cH:25][c:26]([CH2:27][N:39]([CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[cH:29][cH:30][cH:31]3)[cH:21][cH:22][c:23]12