Acetonitrile → HCID 69258837, compound

HRID 1137345Notes

Reaction equation

HRID 1137345 reaction equation
[CH2:12]([N:13]([CH:14]([CH3:15])[CH3:16])[CH:17]([CH3:18])[CH3:19])[CH3:20].[CH3:45][C:46]#[N:47].[Cl:21][C:22]([CH2:23][O:24][c:25]1[cH:26][cH:27][c:28]([CH2:31][CH2:32][O:33][c:34]2[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41][cH:42][cH:43]2)[cH:29][cH:30]1)=[O:44].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][CH2:8][CH3:9])[cH:10][cH:11]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]([CH2:8][CH3:9])[C:22]([CH2:23][O:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][O:33][c:34]3[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41][cH:42][cH:43]3)[cH:29][cH:30]2)=[O:44])[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 4716481N-(4-fluorobenzyl)ethanamineHCID 86600967Benzoic acid, 2-[2-[4-(2-chloro-2-oxoethoxy)phenyl]ethoxy]-, methyl ester

Product 1

HCID 69258837HCID 69258837, compound

Sources & evidence

ORD record
ord-3edae927e1af4fc9a0fa1b141f3bf22b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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