HRID694256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2761404

tert-Butyl methyl(pyrrolidin-3-yl)carbamate

C10H20N2O2

2 次

HCID11856547

4-fluoroisoquinoline-5-sulfonyl Chloride

C9H5ClFNO2S

HCID14580058

4-Bromo-5-isoquinolinesulfonyl chloride

C9H5BrClNO2S

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)c2cccc3cncc(F)c23)C1

HCID67242683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1048ff48a4be40e8b2f6feeb9b0c6925
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:30][c:31]1[c:32]2[c:33]([S:34]([Cl:35])(=[O:36])=[O:37])[cH:38][cH:39][cH:40][c:41]2[cH:42][n:43][cH:44]1.[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]([CH3:24])[CH:25]1[CH2:26][NH:27][CH2:28][CH2:29]1.[C:45]([O:46][C:47]([N:48]([CH:49]1[CH2:50][CH2:51][NH:52][CH2:53]1)[CH3:54])=[O:55])([CH3:56])([CH3:57])[CH3:58].[F:1][c:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[Cl:15])[c:11]12>>[ClH:15].[F:1][c:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[N:27]3[CH2:26][CH:25]([N:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH3:24])[CH2:29][CH2:28]3)[c:11]12