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Acetate → tert-butyl N-[5-(3-amino-4-methylphenyl)pent-4-en-2-yl]-N-methylcarbamate

HRID 201495
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HRID 201495 반응식
[Br:1][c:2]1[cH:3][c:4]([NH2:9])[c:5]([CH3:8])[cH:6][cH:7]1.[CH3:10][N:11]([CH:12]([CH3:13])[CH2:14][CH:15]=[CH2:16])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:63][C:64]#[N:65].[O-:55][C:56]([CH3:57])=[O:58].[O-:59][C:60]([CH3:61])=[O:62].[OH2:53].[Pd+2:54].[c:24]1([CH3:25])[cH:26][cH:27][cH:28][cH:29][c:30]1[P:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45]>>[c:2]1([CH:16]=[CH:15][CH2:14][CH:12]([N:11]([CH3:10])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH3:13])[cH:3][c:4]([NH2:9])[c:5]([CH3:8])[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175Acetate2회HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27348055-Bromo-o-toluidine
HCID 15546849
N-methyl-N-(tert-butoxycarbonyl)-4-penten-2-amine

생성물 1

HCID 70125787tert-butyl N-[5-(3-amino-4-methylphenyl)pent-4-en-2-yl]-N-methylcarbamate

출처 및 근거

ORD 기록
ord-2d12cf2f9be4459b984c136029171e8c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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