HRID90919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1820

5-Fluoroindole-2-carboxylic acid

C9H6FNO2

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)C1CCC(NC(=O)OC(C)(C)C)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1

HCID68603484

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)C1CCC(NC(=O)c2cc3cc(F)ccc3[nH]2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1

HCID72436089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46b52b4ddf844d1092979ce22c1de5d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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