HRID678045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID86627889

未命名化合物

结构：C[NH+](CCOC1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1)Cc1ccccc1

HCID178486219

未命名化合物

PRODUCTS

生成物

结构：COC(CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(OCCN(C)Cc1ccccc1)COc1ccccc1-3)OC

HCID178496044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28f6e9aea5634092a8e161e9633f73c4
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

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