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Chloride → HCID 178427668, 화합물

HRID 286260
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HRID 286260 반응식
[C:42](=[O:43])([O-:44])[O-:45].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16]([O:23][S:24]([C:25]([F:26])([F:27])[F:28])(=[O:29])=[O:30])[cH:17][cH:18][cH:19][c:20]3[CH2:21][CH2:22]2)[cH:6][cH:7]1.[Cl-:49].[Cl:31][c:32]1[c:33]([B:39]([OH:40])[OH:41])[cH:34][c:35]([Cl:38])[cH:36][cH:37]1.[K+:46].[K+:47].[Li+:48].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16](-[c:33]4[c:32]([Cl:31])[cH:37][cH:36][c:35]([Cl:38])[cH:34]4)[cH:17][cH:18][cH:19][c:20]3[CH2:21][CH2:22]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 312ChlorideHCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 28486Lithium ionHCID 312751,4-DioxaneHCID 27733712,5-Dichlorobenzeneboronic acid
HCID 86609096
(8-{[(trifluoromethyl)sulfonyl]oxy}-3,4-dihydro-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate
HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 178427668HCID 178427668, 화합물

출처 및 근거

ORD 기록
ord-9abfe04b7e8140c58e463cc6f479181b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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