Toluene → 6-[(8-t-Butyl-5,5-dimethyl-5,6-dihydro-naphthalen-2-yl)-ethyl-amino]-nicotinic acid

HRID 143041

Reaction equation

HRID 143041 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:6][CH2:7][C:8]([CH3:18])([CH3:19])[c:9]2[cH:10][cH:11][c:12]([NH:15][CH2:16][CH3:17])[cH:13][c:14]21.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[F:20][c:21]1[n:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:6][CH2:7][C:8]([CH3:18])([CH3:19])[c:9]2[cH:10][cH:11][c:12]([N:15]([CH2:16][CH3:17])[c:21]3[n:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]3)[cH:13][c:14]21

Participants

4

Reactant 3

HCID 1140TolueneHCID 2428196-Fluoronicotinic AcidHCID 22218328(8-t-Butyl-5,5-dimethyl-5,6-dihydro-naphthalen-2-yl)-ethyl-amine

Product 1

HCID 101776996-[(8-t-Butyl-5,5-dimethyl-5,6-dihydro-naphthalen-2-yl)-ethyl-amino]-nicotinic acid

Sources & evidence

ORD record
ord-17cbf4233adf46e2874c482cdef1ed43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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