HRID1149942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CC(OCC)C(=O)OC)cc2)n1

HCID77188376

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CC(OCC)C(=O)O)cc2)n1

HCID11293635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4469c94149e646ba9263e540824e9232
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

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