HRID125886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID485407

Benzenemethanamine, 4-methoxy-N-methyl-

C9H13NO

HCID58055211

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C)c2cc(Oc3ccc4c(c3)CC(C(=O)O)CC4)ccn2)cc1

HCID58902369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a271ff399e27442885d72f3e94c68d5d
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

[CH3:22][O:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][NH:31][CH3:32])[cH:28][cH:29]1.[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[CH2:16][CH:15]([C:19](=[O:20])[OH:21])[CH2:14][CH2:13]3)[cH:7]1.[ClH:43].[Na+:34].[OH-:33].[OH2:42]>>[c:2]1([N:31]([CH2:30][c:27]2[cH:26][cH:25][c:24]([O:23][CH3:22])[cH:29][cH:28]2)[CH3:32])[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[CH2:16][CH:15]([C:19](=[O:20])[OH:21])[CH2:14][CH2:13]3)[cH:7]1