Acetonitrile → HCID 178495548, compound

HRID 1559706Notes

Reaction equation

HRID 1559706 reaction equation
[CH3:47][C:48]#[N:49].[F:1][c:2]1[c:3]([CH:8]([CH:9]2[CH2:10][N:11]([c:15]3[c:16](=[O:22])[c:17](=[O:21])[c:18]3[O:19][CH3:20])[CH2:12][CH2:13][CH2:14]2)[O:23][CH2:24][CH2:25][CH2:26][O:27][CH3:28])[cH:4][cH:5][cH:6][cH:7]1.[NH2:29][CH:30]([CH2:31][NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:40][CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1>>[F:1][c:2]1[c:3]([CH:8]([CH:9]2[CH2:10][N:11]([c:15]3[c:16](=[O:22])[c:17](=[O:21])[c:18]3[NH:29][CH:30]([CH2:31][NH:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:40][CH:41]3[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]3)[CH2:12][CH2:13][CH2:14]2)[O:23][CH2:24][CH2:25][CH2:26][O:27][CH3:28])[cH:4][cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 593830743-(3-((2-Fluorophenyl)(3-methoxypropoxy)methyl)piperidin-1-yl)-4-methoxycyclobut-3-ene-1,2-dioneHCID 72282993tert-butyl N-(2-amino-3-cyclohexylpropyl)carbamate

Product 1

HCID 178495548HCID 178495548, compound

Sources & evidence

ORD record
ord-4483b621af4f47d1af5308050e98bc50
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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