HRID1556647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)C(Cc1ccc(-c2cccn(C)c2=O)cc1)NC(=O)c1cc(OC)ccc1Br

HCID22382044

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Br)c(C(=O)NC(Cc2ccc(-c3cccn(C)c3=O)cc2)C(=O)O)c1

HCID10206346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0eeaeffbc8784639bd75471c084f8ad1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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