HRID116954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：COC(=O)NC(C(=O)NN(Cc1ccc(Br)cc1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C

HCID178502241

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)NN(Cc1ccc(-c2c(C)noc2C)cc1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C

HCID178502245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9b6cbd7c8004d4e80a7e704ca56dd09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:56](=[O:57])([O-:58])[O-:59].[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1)=[O:45].[CH3:46][c:47]1[n:48][o:49][c:50]([CH3:55])[c:51]1[B:52]([OH:53])[OH:54].[CH3:62][CH2:63][OH:64].[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[Na+:60].[Na+:61]>>[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41](-[c:51]2[c:47]([CH3:46])[n:48][o:49][c:50]2[CH3:55])[cH:42][cH:43]1)=[O:45]