HRID948861

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)NCc1cccc(NC(=O)OCCc2ccc(B(O)O)cc2Cl)c1

HCID57842728

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：CC(C)(C)OC(=O)NCc1cccc(NC(=O)OCCc2ccc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2Cl)c1

HCID57842717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a867f4ae222b4327b3fdb4fd5b61cb15
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([NH:16][C:17](=[O:18])[O:19][CH2:20][CH2:21][c:22]2[c:23]([Cl:31])[cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]2)[cH:13][cH:14][cH:15]1.[C:59]([CH:60]=[O:61])(=[O:62])[OH:63].[NH2:32][c:33]1[cH:34][c:35]2[cH:36][cH:37][n:38][c:39]([N:43]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:40]2[cH:41][cH:42]1.[OH2:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][c:12]([NH:16][C:17](=[O:18])[O:19][CH2:20][CH2:21][c:22]2[c:23]([Cl:31])[cH:24][c:25]([CH:60]([NH:32][c:33]3[cH:34][c:35]4[cH:36][cH:37][n:38][c:39]([N:43]([C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[C:51](=[O:52])[O:53][C:54]([CH3:55])([CH3:56])[CH3:57])[c:40]4[cH:41][cH:42]3)[C:59](=[O:62])[OH:63])[cH:26][cH:27]2)[cH:13][cH:14][cH:15]1