HRID701009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：Cc1cc(-c2cccc(C(F)(F)F)c2)c(NCCOCc2ccccc2)nc1C(=O)N1CCC(N2CCCC2)CC1

HCID67025369

[6-(2-Benzyloxy-ethylamino)-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

C32H37F3N4O2

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C(F)(F)F)c2)c(NCCO)nc1C(=O)N1CCC(N2CCCC2)CC1

HCID44547500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d209bc1d277e4b708eeb89f4a9a50f28
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

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