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Carbonate Ion → Hydrochloric Acid

HRID 2160361
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인쇄 미리보기

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HRID 2160361 반응식
[C:66]([O:67][C:68](=[O:69])[NH:72][c:73]1[c:74]([C:79]([NH2:80])=[O:81])[cH:75][n:76][cH:77][cH:78]1)([CH3:70])([CH3:71])[CH3:82].[C:83](=[O:84])([O-:85])[O-:86].[Cl:1][c:2]1[n:3][c:4](-[c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)[n:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]12.[Cs+:87].[Cs+:88].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:133]=[C:134]([CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1)[CH:143]=[CH:144][c:145]1[cH:146][cH:147][cH:148][cH:149][cH:150]1.[O:89]1[CH2:90][CH2:91][O:92][CH2:93][CH2:94]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:95].[Pd:96].[cH:20]1[cH:21][cH:22][c:23]([P:24]([c:25]2[cH:26][cH:27][c:28]3[c:29]([cH:30][cH:31][cH:32][cH:33]3)[c:34]2-[c:35]2[c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[cH:42][cH:43][c:44]2[P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[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)[cH:64][cH:65]1>>[ClH:1].[c:2]1([NH:72][c:73]2[c:74]([C:79]([NH2:80])=[O:81])[cH:75][n:76][cH:77][cH:78]2)[n:3][c:4](-[c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)[n:5][c:6]2[n:7][cH:8][cH:9][n:10][c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 8

HCID 19660Carbonate IonHCID 23938Palladium2회HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회HCID 634876Binap, (A+-)-HCID 211130924-Chloro-2-(5-chloro-2-fluorophenyl)pteridine
HCID 58889972(3-Carbamoyl-pyridin-4-yl)-carbamic acid tert-butyl ester

생성물 2

HCID 313Hydrochloric AcidHCID 211130914-[[2-(5-Chloro-2-fluorophenyl)pteridin-4-yl]amino]pyridine-3-carboxamide

출처 및 근거

ORD 기록
ord-987e00d9b4194272bf5ece6690f9a865
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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