HRID86750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C1NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

HCID59485655

未命名化合物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CCCCl)cc1

HCID59485711

3-Chloro-N,N-bis[(4-methoxyphenyl)methyl]-1-propanesulfonamide

C19H24ClNO4S

PRODUCTS

生成物

结构：COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CCCN2CC(c3cccc(C(F)(F)F)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)cc1

HCID68705997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e3b1da553024268845d8d4fe58aa630
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:57](=[O:58])([O-:59])[O-:60].[Cl:1][CH2:2][CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[N:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1.[Cl:27][c:28]1[cH:29][cH:30][c:31]([O:32][c:33]2[cH:34][cH:35][c:36]([N:39]3[C:40](=[O:54])[NH:41][CH2:42][CH:43]3[c:44]3[cH:45][c:46]([C:50]([F:51])([F:52])[F:53])[cH:47][cH:48][cH:49]3)[cH:37][cH:38]2)[cH:55][cH:56]1.[Cs+:61].[Cs+:62].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:63]>>[CH2:2]([CH2:3][CH2:4][S:5](=[O:6])(=[O:7])[N:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]1)[N:41]1[C:40](=[O:54])[N:39]([c:36]2[cH:35][cH:34][c:33]([O:32][c:31]3[cH:30][cH:29][c:28]([Cl:27])[cH:56][cH:55]3)[cH:38][cH:37]2)[CH:43]([c:44]2[cH:45][c:46]([C:50]([F:51])([F:52])[F:53])[cH:47][cH:48][cH:49]2)[CH2:42]1