Water → N-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester

HRID 288899Notes

Reaction equation

HRID 288899 reaction equation
[CH2:63]([N:64]=[C:65]=[N:66][CH2:67][CH2:68][CH2:69][N:70]([CH3:71])[CH3:72])[CH3:73].[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH3:1][N:2]([CH2:3][c:4]1[n:5][c:6]([CH:9]([CH3:10])[CH3:11])[s:7][cH:8]1)[C:12](=[O:13])[NH:14][CH:15]([CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[OH:21].[NH2:22][CH:23]([CH2:24][CH:25]([CH:26]([CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][C:35](=[O:36])[O:37][CH2:38][c:39]1[cH:40][n:41][cH:42][s:43]1)[OH:44])[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[OH2:52].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH3:1][N:2]([CH2:3][c:4]1[n:5][c:6]([CH:9]([CH3:10])[CH3:11])[s:7][cH:8]1)[C:12](=[O:13])[NH:14][CH:15]([CH:16]([CH3:17])[CH3:18])[C:19](=[O:21])[NH:22][CH:23]([CH2:24][CH:25]([CH:26]([CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][C:35](=[O:36])[O:37][CH2:38][c:39]1[cH:40][n:41][cH:42][s:43]1)[OH:44])[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1

Participants

7

Reactant 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 98453355-amino-2-(N-((5-thiazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexaneHCID 21878336(S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-3-methylbutanoic acid

Product 1

HCID 5076N-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester

Sources & evidence

ORD record
ord-d918f39672974e01b91d1f87f4a2929e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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