Acetonitrile → HCID 68869926, compound

HRID 100527Notes

Reaction equation

HRID 100527 reaction equation
[CH2:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH:22]([CH3:23])[CH3:24])[CH3:25].[CH2:1]([CH:2]([CH3:3])[CH3:4])[NH:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1.[CH3:50][C:51]#[N:52].[Cl:26][C:27]([CH2:28][O:29][c:30]1[cH:31][cH:32][c:33]([CH2:36][CH2:37][O:38][c:39]2[c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46][cH:47][cH:48]2)[cH:34][cH:35]1)=[O:49]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1)[C:27]([CH2:28][O:29][c:30]1[cH:31][cH:32][c:33]([CH2:36][CH2:37][O:38][c:39]2[c:40]([C:41](=[O:42])[O:43][CH3:44])[cH:45][cH:46][cH:47][cH:48]2)[cH:34][cH:35]1)=[O:49]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 28428127HCID 28428127, compoundHCID 86600967Benzoic acid, 2-[2-[4-(2-chloro-2-oxoethoxy)phenyl]ethoxy]-, methyl ester

Product 1

HCID 68869926HCID 68869926, compound

Sources & evidence

ORD record
ord-760d1319cdf2456baef3dd19bfc78651
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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