HRID153192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)N1C2CCC1CC(=C1c3ccccc3Oc3cc(C(=O)N(CC)CC)ccc31)C2

HCID57839242

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2

HCID46918141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6496d6eefd804c9380ed55ee6b9066b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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