HRID1133134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：CCC(C)(C)Cc1cn(C(=O)OC(C)(C)C)c(C(Cc2ccc(Br)cc2)NC(=O)OCc2ccccc2)n1

HCID66705603

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)Cc1cn(S(=O)(=O)N(C)C)c(C(Cc2ccc(Br)cc2)NC(=O)OCc2ccccc2)n1

HCID86637798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73f16add2112418abf68033bd95d370e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]1)[c:22]1[n:23]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[cH:24][c:25]([CH2:27][C:28]([CH2:29][CH3:30])([CH3:31])[CH3:32])[n:26]1.[CH2:56]([Cl:57])[Cl:58].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][N:48]([S:49](=[O:50])(=[O:51])[Cl:52])[CH3:53].[CH3:54][OH:55].[ClH:1].[OH2:59]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]1)[c:22]1[n:23]([S:49]([N:48]([CH3:47])[CH3:53])(=[O:50])=[O:51])[cH:24][c:25]([CH2:27][C:28]([CH2:29][CH3:30])([CH3:31])[CH3:32])[n:26]1