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Acetate → HCID 66712324, 화합물

HRID 151630
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HRID 151630 반응식
[Br:26][c:27]1[cH:28][c:29]2[cH:30][n:31][c:32]([NH:36][c:37]3[cH:38][cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:33][n:34]2[cH:35]1.[C:81]([O-:82])(=[O:83])[CH3:84].[C:86]([O-:87])(=[O:88])[CH3:89].[CH2:20]1[O:21][CH2:22][CH2:23][O:24][CH2:25]1.[CH3:50][C:51]1([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56][B:57]([c:58]2[c:59]([O:60][CH2:61][C:62]#[N:63])[cH:64][cH:65][cH:66][cH:67]2)[O:68]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH3:90][CH2:91][O:92][CH2:93][CH3:94].[Na+:74].[Na+:75].[O-:76][C:77](=[O:78])[O-:79].[OH2:80].[Pd+2:85].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:27]1(-[c:58]2[c:59]([O:60][CH2:61][C:62]#[N:63])[cH:64][cH:65][cH:66][cH:67]2)[cH:28][c:29]2[cH:30][n:31][c:32]([NH:36][c:37]3[cH:38][cH:39][c:40]([N:43]4[CH2:44][CH2:45][N:46]([CH3:49])[CH2:47][CH2:48]4)[cH:41][cH:42]3)[n:33][n:34]2[cH:35]1
참가 물질출처 및 근거반응 노트

참가 물질

12

반응물 11

HCID 175Acetate2회HCID 923Sodium Ion2회HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 31275
1,4-Dioxane
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 179989152-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile
HCID 66712235HCID 66712235, 화합물

생성물 1

HCID 66712324HCID 66712324, 화합물

출처 및 근거

ORD 기록
ord-03d59fc7b55c46d0b57add0d3daa1072
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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