HRID139553

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：CCOC(=O)CC(NC(=O)OCc1ccccc1)c1cccc(NC(=O)OCCc2ccc(B(O)O)cc2C)c1

HCID68816240

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(NC(=O)OCc1ccccc1)c1cccc(NC(=O)OCCc2ccc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2C)c1

HCID178472119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9c70c6e14a94819a7e893ae6c9ad5ae
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:68]([CH:69]=[O:70])(=[O:71])[OH:72].[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]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:40])[cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1.[NH2:41][c:42]1[cH:43][c:44]2[cH:45][cH:46][n:47][c:48]([N:52]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[c:49]2[cH:50][cH:51]1.[OH2:67]>>[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]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:40])[cH:33][c:34]([CH:69]([NH:41][c:42]3[cH:43][c:44]4[cH:45][cH:46][n:47][c:48]([N:52]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[c:49]4[cH:50][cH:51]3)[C:68](=[O:71])[OH:72])[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1