Hydrochloric Acid → Benzhydryl 2-{4-[2-(acetylamino)-3-oxo-3-({5-oxo-5-[2-(trimethylsilyl)ethoxy]pentyl}amino)propyl][tert-butoxy(oxo)acetyl]-2-ethylanilino}benzoate

HRID 2122254Notes

Reaction equation

HRID 2122254 reaction equation
[B-:72]([F:73])([F:74])([F:75])[F:76].[C:1]([O:2][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])([CH3:3])([CH3:4])[CH3:5].[C:23]([CH3:24])(=[O:25])[NH:26][CH:27]([CH2:28][c:29]1[cH:30][c:31]([CH2:67][CH3:68])[c:32]([N:35]([c:36]2[c:37]([C:42](=[O:43])[O:44][CH:45]([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[cH:38][cH:39][cH:40][cH:41]2)[C:58]([C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:66])[cH:33][cH:34]1)[C:69]([OH:70])=[O:71].[CH3:109][N:110]([CH3:111])[CH:112]=[O:113].[CH3:114][CH2:115][O:116][C:117](=[O:118])[CH3:119].[CH:94]([N:95]([CH:96]([CH3:97])[CH3:98])[CH2:99][CH3:100])([CH3:101])[CH3:102].[ClH:22].[O:103]1[CH2:104][CH2:105][O:106][CH2:107][CH2:108]1.[n:77]1([O:78][C:79]([N:80]([CH3:81])[CH3:82])=[N+:83]([CH3:84])[CH3:85])[c:86]2[cH:87][cH:88][cH:89][cH:90][c:91]2[n:92][n:93]1>>[C:6](=[O:7])([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[CH:27]([NH:26][C:23]([CH3:24])=[O:25])[CH2:28][c:29]1[cH:30][c:31]([CH2:67][CH3:68])[c:32]([N:35]([c:36]2[c:37]([C:42](=[O:43])[O:44][CH:45]([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[cH:38][cH:39][cH:40][cH:41]2)[C:58]([C:59](=[O:60])[O:61][C:62]([CH3:63])([CH3:64])[CH3:65])=[O:66])[cH:33][cH:34]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 26255TetrafluoroborateHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 222719832-acetamido-3-[4-(2-benzhydryloxycarbonyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]anilino)-3-ethylphenyl]propanoic acidHCID 222719852-(Trimethylsilyl)ethyl 5-[(tert-butoxycarbonyl)amino]pentanoate

Product 1

HCID 22271935Benzhydryl 2-{4-[2-(acetylamino)-3-oxo-3-({5-oxo-5-[2-(trimethylsilyl)ethoxy]pentyl}amino)propyl][tert-butoxy(oxo)acetyl]-2-ethylanilino}benzoate

Sources & evidence

ORD record
ord-44296e2d14694291800f201173cc1197
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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