HRID147840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID760

Glyoxylic acid

C2H2O3

HCID962

Water

H2O

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

HCID58717298

未命名化合物

结构：CCOc1cc(B(O)O)ccc1CCOC(=O)Nc1cccc(C#N)c1

HCID68815689

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)ccc1CCOC(=O)Nc1cccc(C#N)c1

HCID57842641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-446bc92d3e204f80b672cf1fc8913e73
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](=[O:11])[O:12][CH2:13][CH2:14][c:15]2[c:16]([O:24][CH2:25][CH3:26])[cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]2)[cH:6][cH:7][cH:8]1.[C:54]([CH:55]=[O:56])(=[O:57])[OH:58].[NH2:27][c:28]1[cH:29][c:30]2[cH:31][cH:32][n:33][c:34]([N:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[c:35]2[cH:36][cH:37]1.[OH2:53]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[O:12][CH2:13][CH2:14][c:15]2[c:16]([O:24][CH2:25][CH3:26])[cH:17][c:18]([CH:55]([NH:27][c:28]3[cH:29][c:30]4[cH:31][cH:32][n:33][c:34]([N:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[c:35]4[cH:36][cH:37]3)[C:54](=[O:57])[OH:58])[cH:19][cH:20]2)[cH:6][cH:7][cH:8]1