HRID1125459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

HCID1645

3-Aminobenzamide

C7H8N2O

结构：Cc1cc(B(O)O)ccc1CCOC(=O)Nc1cccc(C(C)NC(=O)OCc2ccccc2)c1

HCID68819476

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(Nc2cccc(C(N)=O)c2)C(=O)O)ccc1CCOC(=O)Nc1cccc(C(C)NC(=O)OCc2ccccc2)c1

HCID178426331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff88df38461548399416b1c899044ab7
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

[C:47]([CH:48]=[O:49])(=[O:50])[OH:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH3:13])[c:14]1[cH:15][c:16]([NH:20][C:21](=[O:22])[O:23][CH2:24][CH2:25][c:26]2[c:27]([CH3:35])[cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]2)[cH:17][cH:18][cH:19]1.[NH2:36][c:37]1[cH:38][c:39]([C:40](=[O:41])[NH2:42])[cH:43][cH:44][cH:45]1.[OH2:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([CH3:13])[c:14]1[cH:15][c:16]([NH:20][C:21](=[O:22])[O:23][CH2:24][CH2:25][c:26]2[c:27]([CH3:35])[cH:28][c:29]([CH:48]([NH:36][c:37]3[cH:38][c:39]([C:40](=[O:41])[NH2:42])[cH:43][cH:44][cH:45]3)[C:47](=[O:50])[OH:51])[cH:30][cH:31]2)[cH:17][cH:18][cH:19]1