HRID1237131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID303533

1-Chloro-2-(methanesulfonyl)ethane

C3H7ClO2S

结构：COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12

HCID59612637

[8-(2-methoxy-5-trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridine-2-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-amine

C24H22F3N5O

PRODUCTS

生成物

结构：COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12

HCID49838009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3dac8cdf445498b83b08aeab0ecf590
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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