N-methyl-2-pyrrolidone → Tert-butyl (6-(5-(3-fluoro-2-(2-hydroxy-2-phenylpentylcarbamoyl)pyridin-4-ylthio)thiazol-2-ylamino)pyridin-3-yl)methyl(methyl)carbamate

HRID 297071Notes

Reaction equation

HRID 297071 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][c:18]2[s:19][c:20]([S:23][c:24]3[c:25]([F:33])[c:26]([C:30](=[O:31])[OH:32])[n:27][cH:28][cH:29]3)[cH:21][n:22]2)[n:15][cH:16]1.[CH3:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH2:63][CH2:64][N:65]([CH3:66])[CH3:67].[CH3:77][N:78]1[CH2:79][CH2:80][CH2:81][C:82]1=[O:83].[CH:68]([N:69]([CH:70]([CH3:71])[CH3:72])[CH2:73][CH3:74])([CH3:75])[CH3:76].[NH2:34][CH2:35][C:36]([CH2:37][CH2:38][CH3:39])([OH:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([NH:17][c:18]2[s:19][c:20]([S:23][c:24]3[c:25]([F:33])[c:26]([C:30](=[O:32])[NH:34][CH2:35][C:36]([CH2:37][CH2:38][CH3:39])([OH:40])[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[n:27][cH:28][cH:29]3)[cH:21][n:22]2)[n:15][cH:16]1

Participants

7

Reactant 6

HCID 13387N-methyl-2-pyrrolidoneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 229923231-Amino-2-phenylpentan-2-olHCID 592004604-(2-(5-((Tert-butoxycarbonyl(methyl)amino)methyl)pyridin-2-ylamino)thiazol-5-ylthio)-3-fluoropicolinic acid

Product 1

HCID 59200485Tert-butyl (6-(5-(3-fluoro-2-(2-hydroxy-2-phenylpentylcarbamoyl)pyridin-4-ylthio)thiazol-2-ylamino)pyridin-3-yl)methyl(methyl)carbamate

Sources & evidence

ORD record
ord-d87cac1cd9ad4b499baa771f6d20486e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…