tert-Butanol → 5-Amino-2-(2-methylpropyl)benzonitrile

HRID 1127536

Reaction equation

HRID 1127536 reaction equation
[C:1]([OH:2])([CH3:3])([CH3:4])[CH3:5].[C:6](#[N:7])[c:8]1[cH:9][c:10]([C:11]([OH:12])=[O:13])[cH:14][cH:15][c:16]1[CH2:17][CH:18]([CH3:19])[CH3:20].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[c:21]1([P:22]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)(=[O:31])[N:35]=[N+:23]=[N-:24])[cH:32][cH:33][cH:34][cH:36][cH:37]1>>[C:6](#[N:7])[c:8]1[cH:9][c:10]([NH2:35])[cH:14][cH:15][c:16]1[CH2:17][CH:18]([CH3:19])[CH3:20]

Participants

5

Reactant 4

HCID 6386tert-ButanolHCID 8471TriethylamineHCID 199401P,P-Diphenylphosphinic azideHCID 222281753-Cyano-4-isobutylbenzoic acid

Product 1

HCID 222279325-Amino-2-(2-methylpropyl)benzonitrile

Sources & evidence

ORD record
ord-98a7daa5f327491697693774581e2c2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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