Acetic Acid → 6-[3-[8-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]octylcarbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

HRID 2347358Notes

Reaction equation

HRID 2347358 reaction equation
[C:19]([Si:20]([CH3:21])([CH3:22])[O:24][CH:25]([CH2:26][NH:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][NH:36][C:37](=[O:38])[c:39]1[cH:40][c:41]([S:45](=[O:46])(=[O:47])[c:48]2[cH:49][c:50]3[c:51]([NH:62][c:63]4[cH:64][c:65]([O:69][CH3:70])[cH:66][cH:67][cH:68]4)[c:52]([C:59](=[O:60])[NH2:61])[cH:53][n:54][c:55]3[c:56]([CH3:58])[cH:57]2)[cH:42][cH:43][cH:44]1)[c:71]1[c:72]2[cH:73][cH:74][c:75](=[O:82])[nH:76][c:77]2[c:78]([OH:81])[cH:79][cH:80]1)([CH3:23])([CH3:83])[CH3:84].[CH2:2]([N+:3]([CH2:4][CH2:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18].[CH2:89]1[O:90][CH2:91][CH2:92][CH2:93]1.[CH3:85][C:86](=[O:87])[OH:88].[F-:1]>>[OH:24][CH:25]([CH2:26][NH:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][NH:36][C:37](=[O:38])[c:39]1[cH:40][c:41]([S:45](=[O:46])(=[O:47])[c:48]2[cH:49][c:50]3[c:51]([NH:62][c:63]4[cH:64][c:65]([O:69][CH3:70])[cH:66][cH:67][cH:68]4)[c:52]([C:59](=[O:60])[NH2:61])[cH:53][n:54][c:55]3[c:56]([CH3:58])[cH:57]2)[cH:42][cH:43][cH:44]1)[c:71]1[c:72]2[cH:73][cH:74][c:75](=[O:82])[nH:76][c:77]2[c:78]([OH:81])[cH:79][cH:80]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178490959HCID 178490959, compound

Product 1

HCID 669882276-[3-[8-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]octylcarbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Sources & evidence

ORD record
ord-94e28d75d6764f2c88fc652ff91d2705
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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