HRID1228325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID7519

Anisole

C7H8O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(C)C(NC(=O)OC(C)(C)C)C(=O)OC(C)OC(=O)N(CC1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(C)=O

HCID178446793

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCC(C)C(N)C(=O)OC(C)OC(=O)N(CC1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(C)=O

HCID178446808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a228698fb8c4653b82ee74fdf840794
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]([CH3:2])(=[O:3])[N:4]([C:5](=[O:6])[O:7][CH:8]([CH3:9])[O:10][C:11]([CH:12]([CH:13]([CH2:14][CH3:15])[CH3:16])[NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])=[O:25])[CH2:26][CH:27]1[CH2:28][N:29]([c:33]2[cH:34][c:35]([F:47])[c:36]([CH:39]3[CH2:40][CH2:41][S:42](=[O:45])(=[O:46])[CH2:43][CH2:44]3)[cH:37][cH:38]2)[C:30](=[O:32])[O:31]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH2:62]([O:63][CH2:64][CH3:65])[CH3:66].[CH3:48][O:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[ClH:61]>>[C:1]([CH3:2])(=[O:3])[N:4]([C:5](=[O:6])[O:7][CH:8]([CH3:9])[O:10][C:11]([CH:12]([CH:13]([CH2:14][CH3:15])[CH3:16])[NH2:17])=[O:25])[CH2:26][CH:27]1[CH2:28][N:29]([c:33]2[cH:34][c:35]([F:47])[c:36]([CH:39]3[CH2:40][CH2:41][S:42](=[O:45])(=[O:46])[CH2:43][CH2:44]3)[cH:37][cH:38]2)[C:30](=[O:32])[O:31]1.[ClH:61]