HRID2327668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(OC)cc3c2C)C(CC)CC)cc1

HCID66777222

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)C(Nc1ccc(C(=O)NCCC(=O)O)cc1)c1oc2ccc(OC)cc2c1C

HCID68626957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7aba217dbd3e49afaa73771c07a8036d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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