Citric Acid → 6-[[3-[(8-Hydroxyoctyl)carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

HRID 1575420Notes

Reaction equation

HRID 1575420 reaction equation
[C:34]([NH2:35])(=[O:36])[c:37]1[cH:38][n:39][c:40]2[c:41]([CH3:68])[cH:42][c:43]([S:56](=[O:57])(=[O:58])[c:59]3[cH:60][c:61]([C:62](=[O:63])[OH:64])[cH:65][cH:66][cH:67]3)[cH:44][c:45]2[c:46]1[NH:47][c:48]1[cH:49][c:50]([O:54][CH3:55])[cH:51][cH:52][cH:53]1.[CH3:107][OH:108].[CH3:97][CH2:98][N:99]([CH2:100][CH3:101])[CH2:102][CH3:103].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:104][CH2:105][Cl:106].[NH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][OH:78].[O:92]=[CH:93][N:94]([CH3:95])[CH3:96].[OH:79][C:80]([CH2:81][C:82]([C:83](=[O:84])[OH:85])([CH2:86][C:87](=[O:88])[OH:89])[OH:90])=[O:91].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:34]([NH2:35])(=[O:36])[c:37]1[cH:38][n:39][c:40]2[c:41]([CH3:68])[cH:42][c:43]([S:56](=[O:57])(=[O:58])[c:59]3[cH:60][c:61]([C:62](=[O:64])[NH:69][CH2:70][CH2:71][CH2:72][CH2:73][CH2:74][CH2:75][CH2:76][CH2:77][OH:78])[cH:65][cH:66][cH:67]3)[cH:44][c:45]2[c:46]1[NH:47][c:48]1[cH:49][c:50]([O:54][CH3:55])[cH:51][cH:52][cH:53]1

Participants

11

Reactant 10

HCID 311Citric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 159198328-Amino-1-octanolHCID 577632883-[[3-(Aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]benzoic acid

Product 1

HCID 669880286-[[3-[(8-Hydroxyoctyl)carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

Sources & evidence

ORD record
ord-7763349f11b44d5fbab3d1374486ed5a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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