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Dimethylformamide → (1-acetyl-1H-indazol-5-yl)phosphonic Acid Dimethyl Ester

HRID 1562122
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HRID 1562122 반응식
[C:14]([CH3:15])(=[O:16])[n:17]1[n:18][cH:19][c:20]2[cH:21][c:22]([O:26][S:27]([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33])[cH:23][cH:24][c:25]12.[CH3:1][O:2][P:3]([O:4][CH3:5])[O-:6].[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([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)[cH:120][cH:121]1>>[CH3:1][O:2][P:3]([O:4][CH3:5])(=[O:6])[c:22]1[cH:21][c:20]2[cH:19][n:18][n:17]([C:14]([CH3:15])=[O:16])[c:25]2[cH:24][cH:23]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 21884954DimethylphosphiteHCID 57562419trifluoromethanesulfonic acid 1-acetyl-1H-indazol-5-yl esterHCID 178420554HCID 178420554, 화합물

생성물 1

HCID 57562465
(1-acetyl-1H-indazol-5-yl)phosphonic Acid Dimethyl Ester

출처 및 근거

ORD 기록
ord-ff18bdd61212452ca492d0f093f8f94b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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