Acetone → Hydrochloric Acid

HRID 679075Notes

Reaction equation

HRID 679075 reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:3][O:4][c:5]1[c:6]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:7][c:8]([NH2:9])[cH:10][cH:11]1.[CH3:42][C:43]([CH3:44])=[O:45].[CH3:46][C:47]#[N:48].[ClH:1].[ClH:2].[F:26][c:27]1[cH:28][c:29]2[c:30]([CH:36]3[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]3)[cH:31][nH:32][c:33]2[cH:34][cH:35]1>>[CH3:3][O:4][c:5]1[c:6]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:7][c:8]([NH:9][C:43]([N:39]2[CH2:38][CH2:37][CH:36]([c:30]3[c:29]4[cH:28][c:27]([F:26])[cH:35][cH:34][c:33]4[nH:32][cH:31]3)[CH2:41][CH2:40]2)=[O:45])[cH:10][cH:11]1.[ClH:1]

Participants

8

Reactant 6

HCID 180AcetoneHCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 103311014-Methoxy-3-(4-methylpiperazin-1-yl)anilineHCID 117699295-fluoro-3-(piperidin-4-yl)-1H-indole

Product 2

HCID 313Hydrochloric AcidHCID 10412189HCID 10412189, compound

Sources & evidence

ORD record
ord-7058be885fe34f8ead9736771c073a27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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