HRID2151194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID5093369

2-methoxy-4-methylbenzenesulfonamide

C8H11NO3S

结构：COC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2ccc(Br)cc12

HCID22467212

未命名化合物

结构：Cn1cc(C(C(=O)O)c2ccc3c(c2)OCO3)c2cc(Br)ccc21

HCID22467261

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1ccc2c(c1)OCO2)c1cn(C)c2ccc(Br)cc12

HCID22467216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0ea4f12337646b2bf570262a662172f
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

[CH3:50][O:51][c:52]1[c:53]([S:59](=[O:60])(=[O:61])[NH2:62])[cH:54][cH:55][c:56]([CH3:58])[cH:57]1.[CH3:64][N:65]([CH3:66])[CH2:67][CH2:68][CH2:69][N:70]=[C:71]=[N:72][CH2:73][CH3:74].[CH3:75][N:76]([CH3:77])[c:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1.[Cl:84][CH2:85][Cl:86].[ClH:63].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([C:11](=[O:12])[OH:13])[c:14]1[cH:15][n:16]([CH3:24])[c:17]3[cH:18][cH:19][c:20]([Br:23])[cH:21][c:22]13)[cH:9]2.[O:25]1[c:26]2[cH:27][cH:28][c:29]([CH:30]([c:31]3[c:32]4[c:33]([cH:34][cH:35][c:36]([Br:37])[cH:38]4)[n:39]([CH3:40])[cH:41]3)[C:42]([O:43][CH3:44])=[O:45])[cH:46][c:47]2[O:48][CH2:49]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([C:11](=[O:12])[NH:62][S:59]([c:53]1[c:52]([O:51][CH3:50])[cH:57][c:56]([CH3:58])[cH:55][cH:54]1)(=[O:60])=[O:61])[c:14]1[cH:15][n:16]([CH3:24])[c:17]3[cH:18][cH:19][c:20]([Br:23])[cH:21][c:22]13)[cH:9]2