Dimethylformamide → t-Butyl 4-(4-{2-fluoro-4-[3-(4-fluorophenyl)acetylthioureido]phenoxy}pyridin-2-ylcarbamoyl)piperidine-1-carboxylate

HRID 2155865Notes

Reaction equation

HRID 2155865 reaction equation
[C:30](=[O:31])([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[N:37]1[CH2:38][CH2:39][CH:40]([C:41](=[O:42])[OH:43])[CH2:44][CH2:45]1.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:80][N:81]([CH3:82])[CH:83]=[O:84].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([F:29])[cH:11][c:12]([NH:15][C:16](=[S:17])[NH:18][C:19]([CH2:20][c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)=[O:28])[cH:13][cH:14]2)[cH:7]1.[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][P+:62]([N:63]([CH3:64])[CH3:65])([N:66]([CH3:67])[CH3:68])[N:69]([CH3:70])[CH3:71])[c:72]2[cH:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[c:10]([F:29])[cH:11][c:12]([NH:15][C:16](=[S:17])[NH:18][C:19]([CH2:20][c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)=[O:28])[cH:13][cH:14]2)[cH:7]1)[C:41]([CH:40]1[CH2:39][CH2:38][N:37]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:45][CH2:44]1)=[O:42]

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 3928711-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acidHCID 231530171-[4-(2-Aminopyridin-4-yloxy)-3-fluorophenyl]-3-[(4-fluorophenyl)acetyl]thiourea

Product 1

HCID 23153119t-Butyl 4-(4-{2-fluoro-4-[3-(4-fluorophenyl)acetylthioureido]phenoxy}pyridin-2-ylcarbamoyl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-d68e007ecef74efa80ed6f8966ff7497
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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