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Sodium Ion → HCID 11294580, 화합물

HRID 682429
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HRID 682429 반응식
[CH2:135]1[O:136][CH2:137][CH2:138][O:139][CH2:140]1.[CH3:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[F:23][C:24]([c:25]1[cH:26][c:27]([CH2:28][N:29]2[C:30](=[O:42])[c:31]3[c:32]([n:37][cH:38][cH:39][c:40]3[I:41])[O:33][CH2:34][CH2:35][CH2:36]2)[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51].[Na+:17].[Na+:18].[O-:19][C:20](=[O:21])[O-:22].[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:4]1(-[c:40]2[c:31]3[c:32]([n:37][cH:38][cH:39]2)[O:33][CH2:34][CH2:35][CH2:36][N:29]([CH2:28][c:27]2[cH:26][c:25]([C:24]([F:23])([F:50])[F:51])[cH:45][c:44]([C:46]([F:47])([F:48])[F:49])[cH:43]2)[C:30]3=[O:42])[cH:5][cH:6][cH:7][cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 923Sodium Ion2회HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 114780954-Iodo-6-[3,5-bis(trifluoromethyl)benzyl]-6,7,8,9-tetrahydro-5H-10-oxa-1,6-diazabenzocyclooctene-5-one
HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 11294580HCID 11294580, 화합물

출처 및 근거

ORD 기록
ord-3b50aa1051d64de2ac3528a7cdbbd576
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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