HRID1571174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID3549191

Propane-2-sulfonamide

C3H9NO2S

结构：CCOC(=O)c1c(C(C)C)nn(C2CC2)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

HCID57953850

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(C)C)nn(C2CC2)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)C(C)C)cc3n2C1

HCID57953778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c34ecff3044642dc8ff261d680494949
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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