HRID697198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID11355826

1-(Methanesulfonyl)piperidin-4-amine

C6H14N2O2S

结构：CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(Cl)n2)s1

HCID57989782

N-[3-[5-(2-Chloro-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide

C23H18ClF3N4O2S2

PRODUCTS

生成物

结构：CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(NC3CCN(S(C)(=O)=O)CC3)n2)s1

HCID57989859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-743e43c3727c4a10b68e9c5fb84bb415
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

[CH3:36][S:37](=[O:38])(=[O:39])[N:40]1[CH2:41][CH2:42][CH:43]([NH2:46])[CH2:44][CH2:45]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:35])[c:19]([NH:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]([F:34])[cH:29][cH:30][cH:31][c:32]4[F:33])[cH:20][cH:21][cH:22]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1.[OH:47][CH2:48][C:49]([F:50])([F:51])[F:52]>>[c:2]1([NH:46][CH:43]2[CH2:42][CH2:41][N:40]([S:37]([CH3:36])(=[O:38])=[O:39])[CH2:45][CH2:44]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:35])[c:19]([NH:23][S:24](=[O:25])(=[O:26])[c:27]4[c:28]([F:34])[cH:29][cH:30][cH:31][c:32]4[F:33])[cH:20][cH:21][cH:22]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1