HRID1225418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID31275

1,4-Dioxane

C4H8O2

HCID821052

5,6,7-Trimethoxy-1H-indole-2-carboxylic acid

C12H13NO5

结构：COC(=O)c1cc2c3c(cc([N+](=O)[O-])c2[nH]1)N(C(=O)OC(C)(C)C)CC3CO

HCID10739197

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc2c3c(cc([N+](=O)[O-])c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)CC3CO

HCID10577983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f35feda81734431b1c865f12fd6ae04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[N:8]1[CH2:9][CH:10]([CH2:27][OH:28])[c:11]2[c:12]3[cH:13][c:14]([C:23](=[O:24])[O:25][CH3:26])[nH:15][c:16]3[c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]21)[CH3:7].[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH3:41][O:42][c:43]1[cH:44][c:45]2[cH:46][c:47]([C:56]([OH:57])=[O:58])[nH:48][c:49]2[c:50]([O:54][CH3:55])[c:51]1[O:52][CH3:53].[ClH:40].[Na+:63].[O-:59][C:60]([OH:61])=[O:62].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1>>[O:5]=[C:6]([N:8]1[CH2:9][CH:10]([CH2:27][OH:28])[c:11]2[c:12]3[cH:13][c:14]([C:23](=[O:24])[O:25][CH3:26])[nH:15][c:16]3[c:17]([N+:20](=[O:21])[O-:22])[cH:18][c:19]21)[c:47]1[cH:46][c:45]2[cH:44][c:43]([O:42][CH3:41])[c:51]([O:52][CH3:53])[c:50]([O:54][CH3:55])[c:49]2[nH:48]1