Chloride → 4-(1-Hydroxy-1,3,3-trimethyl-butyl)-benzonitrile

HRID 141208

반응식

HRID 141208 반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11]1.[CH2:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[Mg+:18].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:19][CH2:20][O:21][CH2:22][CH3:23].[CH3:24][CH2:25][O:26][CH2:27][CH3:28].[Cl-:12]>>[C:1]([CH3:2])([OH:3])([c:4]1[cH:5][cH:6][c:7]([C:8]#[N:9])[cH:10][cH:11]1)[CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17]

참가 물질

6

출처 및 근거

ORD 기록
ord-02419378e0ce4b7a9da83dbb0429c6c6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…