Potassium Cation → 6-[3-[[4-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

HRID 2136783Notes

Reaction equation

HRID 2136783 reaction equation
[CH2:45]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[O:52][c:53]1[cH:54][cH:55][c:56]([CH:64]([CH2:65][Br:66])[O:67][Si:68]([CH3:69])([CH3:70])[C:71]([CH3:72])([CH3:73])[CH3:74])[c:57]2[cH:58][cH:59][c:60](=[O:63])[nH:61][c:62]12.[CH3:89][C:90]#[N:91].[I-:76].[K+:77].[K+:78].[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11](=[O:12])[c:13]2[cH:14][c:15]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][c:24]4[c:25]([NH:36][c:37]5[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]5)[c:26]([C:33](=[O:34])[NH2:35])[cH:27][n:28][c:29]4[c:30]([CH3:32])[cH:31]3)[cH:16][cH:17][cH:18]2)[cH:8][cH:9]1.[Na+:75].[O-:79][C:80]([O-:81])=[O:82].[O:84]=[CH:85][N:86]([CH3:87])[CH3:88].[OH2:83]>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11](=[O:12])[c:13]2[cH:14][c:15]([S:19](=[O:20])(=[O:21])[c:22]3[cH:23][c:24]4[c:25]([NH:36][c:37]5[cH:38][c:39]([O:43][CH3:44])[cH:40][cH:41][cH:42]5)[c:26]([C:33](=[O:34])[NH2:35])[cH:27][n:28][c:29]4[c:30]([CH3:32])[cH:31]3)[cH:16][cH:17][cH:18]2)[cH:8][cH:9]1)[CH2:65][CH:64]([c:56]1[cH:55][cH:54][c:53]([O:52][CH2:45][c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:62]2[c:57]1[cH:58][cH:59][c:60](=[O:63])[nH:61]2)[O:67][Si:68]([CH3:69])([CH3:70])[C:71]([CH3:72])([CH3:73])[CH3:74]

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 218806418-(benzyloxy)-5-[(1R)-2-bromo-1-{[tert-butyl(dimethyl)silyl]oxy}ethyl]quinolin-2(1H)-oneHCID 585050736-[[3-[[4-(2-Aminoethyl)phenyl]carbamoyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methylquinoline-3-carboxamide

Product 1

HCID 872263886-[3-[[4-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Sources & evidence

ORD record
ord-8be620c27b2d4f28b1009478fd8e98ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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