HRID154603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

结构：CN(CCCc1ccc(B(O)O)cc1)C(=O)Nc1cccc(C#N)c1

HCID57842712

未命名化合物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(N)ccc12

HCID58717298

未命名化合物

PRODUCTS

生成物

结构：CN(CCCc1ccc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)cc1)C(=O)Nc1cccc(C#N)c1

HCID57842750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c485e3c54e824cbea92726002f471cca
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

[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([N:11]([CH3:12])[CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]2)=[O:25])[cH:6][cH:7][cH:8]1.[C:53]([CH:54]=[O:55])(=[O:56])[OH:57].[NH2:26][c:27]1[cH:28][c:29]2[cH:30][cH:31][n:32][c:33]([N:37]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[c:34]2[cH:35][cH:36]1.[OH2:52]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10]([N:11]([CH3:12])[CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([CH:54]([NH:26][c:27]3[cH:28][c:29]4[cH:30][cH:31][n:32][c:33]([N:37]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[c:34]4[cH:35][cH:36]3)[C:53](=[O:56])[OH:57])[cH:20][cH:21]2)=[O:25])[cH:6][cH:7][cH:8]1