3-Bromobenzonitrile → tert-Butyl {4-[(3'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

HRID 288623

반응식

HRID 288623 반응식
[BH:1]([OH:2])[OH:3].[Br:29][c:30]1[cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36][cH:37]1.[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]>>[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][c:20]2[cH:21][c:22](-[c:30]3[cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36][cH:37]3)[cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]

참가 물질

4

반응물 3

HCID 233813-BromobenzonitrileHCID 61668Boronic AcidHCID 69166809tert-butyl N-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-N-methylcarbamate

생성물 1

HCID 59683521tert-Butyl {4-[(3'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate

출처 및 근거

ORD 기록
ord-8af0d1141492497b9fa467ce83aa7ca6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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