Acetic Acid → HCID 178466284, compound

HRID 1557354Notes

Reaction equation

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

Participants

Reactant 2

HCID 176Acetic Acid

HCID 86607947di-tert-butyl (6-{[(4-phenyl-1-trityl-1H-imidazol-2-yl)(3-ethoxy-5-ethyl-2-fluorophenyl)methyl]amino}isoquinolin-1-yl)imidodicarbonate

Product 1

HCID 178466284HCID 178466284, compound

Sources & evidence

ORD record: ord-a82a86b78967481e9a33290fb2dded51
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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