Acetic Acid → [1-[3-[4-[[[2-[tert-butyl(dimethyl)silyl]oxy-2-(3-formamido-4-hydroxyphenyl)ethyl]amino]methyl]-2,5-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
Reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[C:64]([O:65][BH-:66]([O:67][C:68](=[O:69])[CH3:70])[O:71][C:72](=[O:73])[CH3:74])(=[O:75])[CH3:76].[C:78](=[O:79])([OH:80])[O-:81].[CH3:86][OH:87].[CH:2](=[O:3])[c:4]1[cH:5][c:6]([CH3:38])[c:7]([NH:11][C:12](=[O:13])[CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([O:22][C:23]([NH:24][c:25]3[c:26](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:27][cH:28][cH:29][cH:30]3)=[O:37])[CH2:20][CH2:21]2)[cH:8][c:9]1[CH3:10].[Cl:83][CH2:84][Cl:85].[ClH:1].[NH2:43][CH2:44][CH:45]([O:46][Si:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]1[cH:55][cH:56][c:57]([OH:63])[c:58]([NH:60][CH:61]=[O:62])[cH:59]1.[Na+:77].[Na+:82]>>[c:4]1([CH2:39][NH:43][CH2:44][CH:45]([O:46][Si:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][c:57]([OH:63])[c:58]([NH:60][CH:61]=[O:62])[cH:59]2)[cH:5][c:6]([CH3:38])[c:7]([NH:11][C:12](=[O:13])[CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([O:22][C:23]([NH:24][c:25]3[c:26](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:27][cH:28][cH:29][cH:30]3)=[O:37])[CH2:20][CH2:21]2)[cH:8][c:9]1[CH3:10]Participants
10
Reactant 9
HCID 176Acetic Acid
HCID 313Hydrochloric Acid
HCID 769Bicarbonate Ion
HCID 887Methanol
HCID 923Sodium ion2×
HCID 6344Dichloromethane
HCID 2724942Triacetoxyborohydride
HCID 46239522Biphenyl-2-ylcarbamic acid 1-[2-(4-formyl-2,5-dimethylphenylcarbamoyl)ethyl]piperidin-4-yl ester
HCID 76546866N-[5-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-hydroxyphenyl]formamideProduct 1
Sources & evidence
- ORD record
- ord-d41f1f7ddfec46a0a4089050122b7a90
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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