Dimethylformamide → 3-{[5-(3-tert-Butoxycarbonylamino-propylcarbamoyl)-thiophene-2-carbonyl]-amino}-3-phenyl-propionic Acid Tert-butyl Ester

HRID 154302Notes

Reaction equation

HRID 154302 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:20](=[O:21])[OH:22])[s:19]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([CH2:29][CH:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[NH2:37])=[O:38].[C:83]([O:84][CH2:85][CH3:86])(=[O:87])[CH3:88].[CH3:77][CH2:78][CH2:79][CH2:80][CH2:81][CH3:82].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[n:63]1[c:64]([CH3:65])[cH:66][c:67]([CH3:68])[cH:69][c:70]1[CH3:71]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([C:20](=[O:22])[NH:37][CH:30]([CH2:29][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:38])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[s:19]1

Participants

9

Reactant 8

HCID 6228DimethylformamideHCID 79532,4,6-TrimethylpyridineHCID 8058HexaneHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14557402Tert-butyl 3-amino-3-phenylpropanoateHCID 222852255-(3-tert-Butoxycarbonylamino-propylcarbamoyl)-thiophene-2-carboxylic Acid

Product 1

HCID 540767673-{[5-(3-tert-Butoxycarbonylamino-propylcarbamoyl)-thiophene-2-carbonyl]-amino}-3-phenyl-propionic Acid Tert-butyl Ester

Sources & evidence

ORD record
ord-4f360b2b110f455b9cb4156b22b95157
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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