Acetic Acid → [5-[[3-(2-acetyloxyethoxy)-2-fluoro-5-methoxyphenyl]-[4-[N'-(2,2-dimethylpropoxycarbonyl)carbamimidoyl]anilino]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl 2-ethylbutanoate

HRID 1215724Notes

Reaction equation

HRID 1215724 reaction equation
[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:61][C:62]([OH:63])=[O:64].[CH3:65][N:66]([c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1)[CH3:73].[Cl:79][CH2:80][Cl:81].[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[n:12][c:13]([O:22][CH2:23][O:24][C:25]([CH:26]([CH2:27][CH3:28])[CH2:29][CH3:30])=[O:31])[n:14](-[c:16]3[n:17][cH:18][cH:19][cH:20][n:21]3)[n:15]2)[c:32]2[c:33]([F:44])[c:34]([O:40][CH2:41][CH2:42][OH:43])[cH:35][c:36]([O:38][CH3:39])[cH:37]2)[cH:7][cH:8]1)=[N:45][C:46](=[O:47])[O:48][CH2:49][C:50]([CH3:51])([CH3:52])[CH3:53].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78]>>[NH2:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][CH:10]([c:11]2[n:12][c:13]([O:22][CH2:23][O:24][C:25]([CH:26]([CH2:27][CH3:28])[CH2:29][CH3:30])=[O:31])[n:14](-[c:16]3[n:17][cH:18][cH:19][cH:20][n:21]3)[n:15]2)[c:32]2[c:33]([F:44])[c:34]([O:40][CH2:41][CH2:42][O:43][C:62]([CH3:61])=[O:63])[cH:35][c:36]([O:38][CH3:39])[cH:37]2)[cH:7][cH:8]1)=[N:45][C:46](=[O:47])[O:48][CH2:49][C:50]([CH3:51])([CH3:52])[CH3:53]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 674705332-ethylbutanoic acid 5-{(4-{amino[2,2-dimethylpropoxycarbonylimino]methyl}phenylamino)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]methyl}-2-pyrimidin-2-yl-2H-[1,2,4]triazol-3-yloxymethyl ester

Product 1

HCID 76166052[5-[[3-(2-acetyloxyethoxy)-2-fluoro-5-methoxyphenyl]-[4-[N'-(2,2-dimethylpropoxycarbonyl)carbamimidoyl]anilino]methyl]-2-pyrimidin-2-yl-1,2,4-triazol-3-yl]oxymethyl 2-ethylbutanoate

Sources & evidence

ORD record
ord-c5aac408fbfc46aea29076631ca167bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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