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Acetate → 2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

HRID 301103
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HRID 301103 반응식
[BH3:42].[Br:1][c:2]1[c:3]([CH3:9])[c:4]([NH2:5])[cH:6][cH:7][cH:8]1.[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[O-:64][C:65]([CH3:66])=[O:67].[O-:68][C:69]([CH3:70])=[O:71].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[OH:50].[Pd+2:63]>>[c:2]1([B:42]2[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]2)[c:3]([CH3:9])[c:4]([NH2:5])[cH:6][cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175Acetate2회HCID 6331BoraneHCID 6425PinacolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 123538
3-Bromo-o-toluidine
HCID 27342162-(Dicyclohexylphosphino)biphenyl

생성물 1

HCID 467380052-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

출처 및 근거

ORD 기록
ord-775b4677e89741bd95b2a659fc391ad2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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