4-Octylaniline → HCID 23150520, compound

HRID 2315211Notes

Reaction equation

HRID 2315211 reaction equation
[C:1](=[O:2])([OH:3])[C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2.[CH2:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[c:32]1[cH:33][cH:34][c:35]([NH2:36])[cH:37][cH:38]1>>[C:1](=[O:2])([C:4]12[CH2:5][CH2:6][C:7]([NH:12][CH2:13][C:14](=[O:15])[N:16]3[CH:17]([C:22]#[N:23])[CH2:18][CH:19]([F:21])[CH2:20]3)([CH2:8][CH2:9]1)[CH2:10][CH2:11]2)[NH:36][c:35]1[cH:34][cH:33][c:32]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[cH:38][cH:37]1

Participants

3

Reactant 2

HCID 853464-OctylanilineHCID 231496734-[[2-(2-Cyano-4-fluoropyrrolidin-1-yl)-2-oxoethyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid

Product 1

HCID 23150520HCID 23150520, compound

Sources & evidence

ORD record
ord-248ee79443eb4f33a13323a2861c60e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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