HRID1124113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID222

Ammonia gas

H3N

HCID1068

Dimethyl sulfide

C2H6S

HCID6331

Borane

H3B

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11183892

4-[2-(Piperidin-1-yl)ethoxy]benzaldehyde

C14H19NO2

HCID23087522

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc3ccc(OC)cc3s2)c(NCc2ccc(OCCN3CCCCC3)cc2)c1

HCID57933790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a5eefabd533485c840445c619daabf6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH3:41].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:10]2[s:11][c:12]3[c:13]([n:14]2)[cH:15][cH:16][c:17]([O:19][CH3:20])[cH:18]3)[c:7]([NH2:9])[cH:8]1.[CH3:38][S:39][CH3:40].[CH3:51][C:52](=[O:53])[OH:54].[Cl:48][CH2:49][Cl:50].[N:21]1([CH2:27][CH2:28][O:29][c:30]2[cH:31][cH:32][c:33]([CH:34]=[O:35])[cH:36][cH:37]2)[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[NH3:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:10]2[s:11][c:12]3[c:13]([n:14]2)[cH:15][cH:16][c:17]([O:19][CH3:20])[cH:18]3)[c:7]([NH:9][CH2:34][c:33]2[cH:32][cH:31][c:30]([O:29][CH2:28][CH2:27][N:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:37][cH:36]2)[cH:8]1