Hydrochloric Acid → Tert-butyl (4-{2-[2-(acetylamino)-5-({[4-(methylthio)benzyl]amino}carbonyl)-1,3-thiazol-4-yl]ethyl}phenyl)carbamate

HRID 99651Notes

Reaction equation

HRID 99651 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]([C:26](=[O:27])[OH:28])[c:8]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:16][cH:17]2)[n:9]1.[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH3:29][S:30][c:31]1[cH:32][cH:33][c:34]([CH2:35][NH2:36])[cH:37][cH:38]1.[ClH:49].[Na+:65].[O-:61][C:62]([OH:63])=[O:64].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[s:6][c:7]([C:26](=[O:28])[NH:36][CH2:35][c:34]2[cH:33][cH:32][c:31]([S:30][CH3:29])[cH:38][cH:37]2)[c:8]([CH2:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:16][cH:17]2)[n:9]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27600804-(Methylthio)benzylamineHCID 219153162-(Acetylamino)-4-(2-[4-[(tert-butoxycarbonyl)amino]phenyl}ethyl)-1,3-thiazole-5-carboxylic acid

Product 1

HCID 86595599Tert-butyl (4-{2-[2-(acetylamino)-5-({[4-(methylthio)benzyl]amino}carbonyl)-1,3-thiazol-4-yl]ethyl}phenyl)carbamate

Sources & evidence

ORD record
ord-359fcdb61e8340769631acfa57081068
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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