HRID693908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID22562851

1-(Propane-2-sulfonyl)piperazine

C7H16N2O2S

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID59792820

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(S(=O)(=O)C(C)C)CC1

HCID11227800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60378cab881145938327624e7878b803
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

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