Water → 4-[4-Hydroxy-4-(2-hydroxy-ethyl)-piperidin-1-yl]-2-trifluoromethyl-benzonitrile

HRID 188900

반응식

HRID 188900 반응식
[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[F:18][c:19]1[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]1.[OH2:36].[OH:1][CH2:2][CH2:3][C:4]1([OH:10])[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1>>[OH:1][CH2:2][CH2:3][C:4]1([OH:10])[CH2:5][CH2:6][N:7]([c:19]2[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]2)[CH2:8][CH2:9]1

참가 물질

6

출처 및 근거

ORD 기록
ord-9c2b747b40a14fc4bbd8fe981e78ad10
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

불러오는 중…