HRID1127234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=CC(=O)OCC)cc2)c1

HCID67272510

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=CC(=O)O)cc2)c1

HCID67272064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59c8eb61f40442808b2d9d3c7b26da5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[CH:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:33].[CH3:34][OH:35].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:55][C:56](=[O:57])[OH:58].[Na+:2].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:1].[OH2:41]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[CH:27][C:28](=[O:29])[OH:30])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:33]