HRID88207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID81531

Diisopropylethylamine

C8H19N

HCID88099

1-Naphthalenecarboxaldehyde, 2-ethoxy-

C13H12O2

HCID498716

未命名化合物

HCID14575274

N-(Piperidin-4-yl)-1,3-benzothiazol-2-amine

C12H15N3S

PRODUCTS

生成物

结构：CCOc1ccc2ccccc2c1CN1CCC(Nc2nc3ccccc3s2)CC1

HCID86607625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad9255493aa0443b98a6b3c76be30e86
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

[C:45]([BH3-:46])#[N:47].[CH2:17]([CH3:18])[O:19][c:20]1[c:21]([CH:30]=[O:31])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[cH:28][cH:29]1.[CH3:41][C:42](=[O:43])[OH:44].[CH3:49][CH2:50][OH:51].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Na+:48].[s:1]1[c:2]([NH:10][CH:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][CH:11]2[CH2:12][CH2:13][N:14]([CH2:30][c:21]3[c:20]([O:19][CH2:17][CH3:18])[cH:29][cH:28][c:27]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[CH2:15][CH2:16]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2