Acetonitrile → Aniline

HRID 321379Notes

Reaction equation

HRID 321379 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[NH:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][cH:27][c:28]([NH:31][c:32]2[c:33]3[c:34]([n:35][c:36]([Cl:38])[n:37]2)[n:39][c:40](-[c:43]2[c:44]([C:49]([F:50])([F:51])[F:52])[cH:45][cH:46][cH:47][cH:48]2)[cH:41][cH:42]3)[cH:29][cH:30]1.[CH3:53][C:54]#[N:55].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9]>>[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][cH:27][c:28]([NH:31][c:32]2[c:33]3[c:34]([n:35][c:36]([Cl:38])[n:37]2)[n:39][c:40](-[c:43]2[c:44]([C:49]([F:50])([F:51])[F:52])[cH:45][cH:46][cH:47][cH:48]2)[cH:41][cH:42]3)[cH:29][cH:30]1.[NH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 254260N-(1,1-Dimethylethyl)benzenamineHCID 22030367HCID 22030367, compound

Product 2

HCID 6115AnilineHCID 22030367HCID 22030367, compound

Sources & evidence

ORD record
ord-0f3b14b5d579465db4c9f6e31c672795
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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