HRID139350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID38282

4-(4-Chlorophenyl)-4-piperidinol

C11H14ClNO

结构：O=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1

HCID46906718

4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid

C22H17ClF3N3O2

PRODUCTS

生成物

结构：O=C(c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1

HCID58327866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ed6583dbcb94853936190da3c27c07f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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