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Chloride → HCID 178450361, 화합물

HRID 1124379
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HRID 1124379 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([OH:19])[n:7][c:8]3[cH:9][cH:10][n:11][c:12]([O:14][CH2:15][CH2:16][CH2:17][CH3:18])[c:13]23)[cH:20][cH:21]1.[CH3:22][n:23]1[n:24][cH:25][c:26]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:27]1.[Cl-:38].[Li+:37].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:127].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1(-[c:26]2[cH:25][n:24][n:23]([CH3:22])[cH:27]2)[cH:3][c:4]2[c:5]([c:6]([OH:19])[n:7][c:8]3[cH:9][cH:10][n:11][c:12]([O:14][CH2:15][CH2:16][CH2:17][CH3:18])[c:13]23)[cH:20][cH:21]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 312ChlorideHCID 923Sodium Ion2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 28486Lithium ionHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
HCID 178420554
HCID 178420554, 화합물
HCID 178450360HCID 178450360, 화합물

생성물 1

HCID 178450361HCID 178450361, 화합물

출처 및 근거

ORD 기록
ord-8afdbd3e58c14967ad0741cdd60c6031
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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