Hydrochloric Acid → methyl 3-[[4-[[2,3-dihydro-1H-inden-5-yl-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoyl]amino]-2-hydroxypropanoate

HRID 2149292Notes

Reaction equation

HRID 2149292 reaction equation
[CH2:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6]([N:10]([c:11]3[s:12][cH:13][c:14](-[c:16]4[cH:17][cH:18][c:19]([O:22][C:23]([F:24])([F:25])[F:26])[cH:20][cH:21]4)[n:15]3)[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]3)[cH:7][cH:8][c:9]21.[CH2:48]([N:49]=[C:50]=[N:51][CH2:52][CH2:53][CH2:54][N:55]([CH3:56])[CH3:57])[CH3:58].[CH3:60][O:61][C:62]([CH:63]([CH2:64][NH2:65])[OH:66])=[O:67].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[CH:68]([N:69]([CH2:70][CH3:71])[CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[ClH:47].[ClH:59].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH2:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6]([N:10]([c:11]3[s:12][cH:13][c:14](-[c:16]4[cH:17][cH:18][c:19]([O:22][C:23]([F:24])([F:25])[F:26])[cH:20][cH:21]4)[n:15]3)[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[NH:65][CH2:64][CH:63]([C:62]([O:61][CH3:60])=[O:67])[OH:66])[cH:35][cH:36]3)[cH:7][cH:8][c:9]21

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 11105589Methyl 3-amino-2-hydroxypropanoateHCID 224963904-({Indan-5-yl-[4-(4-trifluoromethoxyphenyl)thiazol-2-yl]amino}methyl)benzoic acid

Product 1

HCID 67483490methyl 3-[[4-[[2,3-dihydro-1H-inden-5-yl-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoyl]amino]-2-hydroxypropanoate

Sources & evidence

ORD record
ord-0b8a949654b341a8bc85f1c11f09ff58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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