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Sodium Ion → HCID 67492607, 화합물

HRID 1554674
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HRID 1554674 반응식
[C:1](#[N:2])[C:3]1([c:6]2[cH:7][c:8]([CH2:21][CH2:22][CH2:23][NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:9][c:10]([B:12]3[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]3)[cH:11]2)[CH2:4][CH2:5]1.[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[I:32][c:33]1[c:34]2[c:35]([n:36][cH:37][cH:38]1)[n:39]([C:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[n:40][c:41]2[C:42]([F:43])([F:44])[F:45].[Na+:65].[Na+:66].[O-:67][C:68](=[O:69])[O-:70].[O:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[OH2:71]>>[C:1](#[N:2])[C:3]1([c:6]2[cH:7][c:8]([CH2:21][CH2:22][CH2:23][NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31])[cH:9][c:10](-[c:33]3[c:34]4[c:35]([n:36][cH:37][cH:38]3)[n:39]([C:46]([c:47]3[cH:48][cH:49][cH:50][cH:51][cH:52]3)([c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[c:59]3[cH:60][cH:61][cH:62][cH:63][cH:64]3)[n:40][c:41]4[C:42]([F:43])([F:44])[F:45])[cH:11]2)[CH2:4][CH2:5]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 579697084-Iodo-3-(trifluoromethyl)-1-(triphenylmethyl)-1H-pyrazolo[3,4-b]pyridineHCID 57969718HCID 57969718, 화합물

생성물 1

HCID 67492607HCID 67492607, 화합물

출처 및 근거

ORD 기록
ord-0b0e4afd95c243d980a714e40ac29f3a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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