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Methanol → HCID 86755056, 화합물

HRID 2162321
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HRID 2162321 반응식
[CH3:1][O:2][C:3](=[O:4])[C:5]12[CH2:6][N:7]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:8][CH:9]1[C:10]([I:20])=[CH:11][CH2:12][CH:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH3:49][OH:50].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1.[s:28]1[cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1>>[CH3:1][O:2][C:3](=[O:4])[C:5]12[CH2:6][N:7]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:8][CH:9]1[C:10]([c:30]1[cH:29][s:28][cH:32][cH:31]1)=[CH:11][CH2:12][CH:13]2[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 887MethanolHCID 923Sodium Ion2회HCID 1140TolueneHCID 19660Carbonate IonHCID 581760Thiophene-3-boronic acidHCID 86755053HCID 86755053, 화합물HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 86755056HCID 86755056, 화합물

출처 및 근거

ORD 기록
ord-8dc8d1460d694a9d9138f5981f8fbacd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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