HRID685338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID3604458

(3,4-Dimethoxyphenyl)acetyl chloride

C10H11ClO3

HCID12373297

3-[4-(Benzyloxy)-3-methoxyphenyl]propan-1-amine

C17H21NO2

PRODUCTS

生成物

结构：COc1ccc(CC(=O)NCCCc2ccc(OCc3ccccc3)c(OC)c2)cc1OC

HCID18442596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1dfe35089f645d98af9eecc66d4202b
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

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