HRID1205606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)c1ccc(-c2ccc(OCCCN(C)C)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID11306847

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C

HCID11465878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb97218d4d6d4fc0b6b21b8c2147992d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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