HRID2159679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID1514290

Azetidin-3-ol

C3H7NO

反应SMILES：Cc1ccc2c(=O)n(C(C)COS(C)(=O)=O)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1

HCID72577324

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc2c(=O)n(C(C)CN3CC(O)C3)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)c(F)c1

HCID91493870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7a1782fc787e43ab96ea1f4c5243ff24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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