HRID694931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID111509

2-Butanone, 4-hydroxy-

C4H8O2

HCID2724942

未命名化合物

HCID25105049

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc3c(c2)CCN(C(C)CCO)CC3)n(C)n1

HCID59864271

7-(1,3-Dimethyl-1H-pyrazol-5-yl)-1,2,4,5-tetrahydro-γ-methyl-3H-3-benzazepine-3-propanol

C19H27N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a77e1a6951447b4a4fb248afccbef7a
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:25]([O:26][BH-:27]([O:28][C:29](=[O:30])[CH3:31])[O:32][C:33](=[O:34])[CH3:35])(=[O:36])[CH3:37].[CH3:1][n:2]1[n:3][c:4]([CH3:18])[cH:5][c:6]1-[c:7]1[cH:8][c:9]2[c:10]([cH:16][cH:17]1)[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2.[CH3:46][C:47](=[O:48])[OH:49].[Na+:38].[Na+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:39].[OH:19][CH2:20][CH2:21][C:22]([CH3:23])=[O:24]>>[CH3:1][n:2]1[n:3][c:4]([CH3:18])[cH:5][c:6]1-[c:7]1[cH:8][c:9]2[c:10]([cH:16][cH:17]1)[CH2:11][CH2:12][N:13]([CH:22]([CH2:21][CH2:20][OH:19])[CH3:23])[CH2:14][CH2:15]2