Acetonitrile → HCID 54320219, compound

HRID 689287Notes

Reaction equation

HRID 689287 reaction equation
[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:1]12[CH:2]([N:8]3[C:9](=[O:21])[NH:10][CH2:11][c:12]4[c:13]3[n:14][c:15]([S:18]([CH3:19])=[O:20])[n:16][cH:17]4)[CH2:3][CH:4]([CH2:5][CH2:6]1)[CH2:7]2.[NH2:22][c:23]1[cH:24][cH:25][c:26]([N:29]2[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:27][cH:28]1.[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[CH:1]12[CH:2]([N:8]3[C:9](=[O:21])[NH:10][CH2:11][c:12]4[c:13]3[n:14][c:15]([NH:22][c:23]3[cH:24][cH:25][c:26]([N:29]5[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]5)[cH:27][cH:28]3)[n:16][cH:17]4)[CH2:3][CH:4]([CH2:5][CH2:6]1)[CH2:7]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 7372534-(4-Methylpiperazin-1-yl)anilineHCID 68860079HCID 68860079, compound

Product 1

HCID 54320219HCID 54320219, compound

Sources & evidence

ORD record
ord-fb13ce5714b84532a3a7172dc32da90c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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