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Sodium Ion → Tert-butyl 4-[2'-(2-{[(cyanomethyl)amino]carbonyl}-4-methylpentyl)[1,1'-biphenyl]-4-yl]-1-piperazinecarboxylate

HRID 808930
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HRID 808930 반응식
[Br:1][c:2]1[c:3]([CH2:4][CH:5]([C:6](=[O:7])[NH:8][CH2:9][C:10]#[N:11])[CH2:12][CH:13]([CH3:14])[CH3:15])[cH:16][cH:17][cH:18][cH:19]1.[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH2:29][N:30]([c:33]2[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]2)[CH2:31][CH2:32]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([N:30]3[CH2:29][CH2:28][N:27]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[CH2:32][CH2:31]3)[cH:38][cH:37]2)[c:3]([CH2:4][CH:5]([C:6](=[O:7])[NH:8][CH2:9][C:10]#[N:11])[CH2:12][CH:13]([CH3:14])[CH3:15])[cH:16][cH:17][cH:18][cH:19]1
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참가 물질

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반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 52330144-(4-BOC-Piperazino)phenylboronic acidHCID 222361892-(2-bromobenzyl)-N-(cyanomethyl)-4-methylpentanamide

생성물 1

HCID 22235962
Tert-butyl 4-[2'-(2-{[(cyanomethyl)amino]carbonyl}-4-methylpentyl)[1,1'-biphenyl]-4-yl]-1-piperazinecarboxylate

출처 및 근거

ORD 기록
ord-96fe5e16a5124ed2b9e757e1ca0b93e7
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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