HRID2320844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID82267

Sulfamide

H4N2O2S

HCID86627889

未命名化合物

结构：CN(CCNC(=O)OC(C)(C)C)C1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

HCID178484358

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(N(C)CCNC(=O)OC(C)(C)C)COc1ccccc1-3)OC

HCID178496043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce5bf682ef484fe2b55ade10da6e3d8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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