Hydrochloric Acid → 1-trityl-1H-[1,2,4]triazole-3-carboxylic acid (4-{[6-amino-1-butyl-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylcarbamoyl]-methyl}-phenyl)-amide

HRID 2330554Notes

Reaction equation

HRID 2330554 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22]([C:25](=[O:26])[OH:27])[n:23][cH:24]1.[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[ClH:39].[NH2:40][c:41]1[c:42]([NH:61][C:62]([CH2:63][c:64]2[cH:65][cH:66][c:67]([NH2:70])[cH:68][cH:69]2)=[O:71])[c:43](=[O:60])[n:44]([CH2:52][c:53]2[c:54]([F:59])[cH:55][cH:56][cH:57][cH:58]2)[c:45](=[O:51])[n:46]1[CH2:47][CH2:48][CH2:49][CH3:50].[OH2:28].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22]([C:25](=[O:26])[NH:70][c:67]2[cH:66][cH:65][c:64]([CH2:63][C:62]([NH:61][c:42]3[c:41]([NH2:40])[n:46]([CH2:47][CH2:48][CH2:49][CH3:50])[c:45](=[O:51])[n:44]([CH2:52][c:53]4[c:54]([F:59])[cH:55][cH:56][cH:57][cH:58]4)[c:43]3=[O:60])=[O:71])[cH:69][cH:68]2)[n:23][cH:24]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 21891680N-{6-Amino-1-butyl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2-(4-aminophenyl)acetamideHCID 218918071-trityl-1H-[1,2,4]triazole-3-carboxylic acid

Product 1

HCID 587392261-trityl-1H-[1,2,4]triazole-3-carboxylic acid (4-{[6-amino-1-butyl-3-(2-fluoro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylcarbamoyl]-methyl}-phenyl)-amide

Sources & evidence

ORD record
ord-28823c503c6f41c3b55d2242d36efc4e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…