Hydrochloric Acid → Tert-butyl {[2-isobutyl-6-(4-{[methoxy(methyl)amino]carbonyl}-1,3-thiazol-2-yl)-4-(4-methylphenyl)quinolin-3-yl]methyl}carbamate

HRID 688999Notes

Reaction equation

HRID 688999 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([CH2:35][CH:36]([CH3:37])[CH3:38])[n:12][c:13]2[cH:14][cH:15][c:16](-[c:27]3[s:28][cH:29][c:30]([C:32](=[O:33])[OH:34])[n:31]3)[cH:17][c:18]2[c:19]1-[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1.[CH2:45]([N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54])[CH3:55].[CH3:40][NH:41][O:42][CH3:43].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[ClH:39].[ClH:44].[OH2:73].[OH:56][n:57]1[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[c:11]([CH2:35][CH:36]([CH3:37])[CH3:38])[n:12][c:13]2[cH:14][cH:15][c:16](-[c:27]3[s:28][cH:29][c:30]([C:32](=[O:34])[N:41]([CH3:40])[O:42][CH3:43])[n:31]3)[cH:17][c:18]2[c:19]1-[c:20]1[cH:21][cH:22][c:23]([CH3:26])[cH:24][cH:25]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 688291742-[3-{[(Tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)-6-quinolinyl]-1,3-thiazole-4-carboxylic acid

Product 1

HCID 86605647Tert-butyl {[2-isobutyl-6-(4-{[methoxy(methyl)amino]carbonyl}-1,3-thiazol-2-yl)-4-(4-methylphenyl)quinolin-3-yl]methyl}carbamate

Sources & evidence

ORD record
ord-4bf493aba6604f498eb35238b3dbcb8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…