HRID1563204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID2359

2-benzothienylboronic acid

C8H7BO2S

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

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(-c2cc3ccccc3s2)cc1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C

HCID178502242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7adbd5fffdc048018f2b06c86e3d327d
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

[C:58](=[O:59])([O-:60])[O-: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]([Br:44])[cH:42][cH:43]1)=[O:45].[CH3:64][CH2:65][OH:66].[CH3:67][O:68][CH2:69][CH2:70][O:71][CH3:72].[Na+:62].[Na+:63].[s:46]1[c:47]2[c:48]([cH:49][c:50]1[B:51]([OH:52])[OH:53])[cH:54][cH:55][cH:56][cH:57]2>>[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:50]2[s:46][c:47]3[c:48]([cH:49]2)[cH:54][cH:55][cH:56][cH:57]3)[cH:42][cH:43]1)=[O:45]