HRID945294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9588

Benzenesulfonyl chloride, 4-fluoro-

C6H4ClFO2S

结构：O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCNCC1

HCID3055243

(Piperazin-1-yl)(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone

C21H19F3N4O

PRODUCTS

生成物

结构：O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1

HCID54750

1-((4-Fluorophenyl)sulfonyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)piperazine

C27H22F4N4O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c964e200fbfc4a26af78ae5fc8da26d3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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