Water → tert-butyl N-[4-hydroxy-5-[(3-hydroxy-2-methylbenzoyl)amino]-1,6-diphenylhexan-2-yl]carbamate

HRID 673851Notes

Reaction equation

HRID 673851 reaction equation
[B-:40]([F:41])([F:42])([F:43])[F:44].[CH3:91][N:92]([CH3:93])[CH:94]=[O:95].[CH:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH2:78][CH3:79])([CH3:80])[CH3:81].[NH2:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:10]([CH2:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[OH:28].[NH2:82][CH2:83][CH2:84][CH:85]1[CH2:86][NH:87][CH2:88][CH2:89][O:90]1.[OH2:62].[OH:29][c:30]1[c:31]([CH3:39])[c:32]([C:33](=[O:34])[OH:35])[cH:36][cH:37][cH:38]1.[OH:63][n:64]1[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1.[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[NH:1]([CH:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH:10]([CH2:11][CH:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[OH:28])[C:33]([c:32]1[c:31]([CH3:39])[c:30]([OH:29])[cH:38][cH:37][cH:36]1)=[O:34]

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 2520233-Hydroxy-2-methylbenzoic AcidHCID 41293182-MorpholineethanamineHCID 18758861tert-butyl N-(4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)carbamate

Product 1

HCID 19082101tert-butyl N-[4-hydroxy-5-[(3-hydroxy-2-methylbenzoyl)amino]-1,6-diphenylhexan-2-yl]carbamate

Sources & evidence

ORD record
ord-290323b84d3e4101a2be3e7d84254d1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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