Acetic Acid → HCID 13364167, compound

HRID 104140Notes

Reaction equation

HRID 104140 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:45][C:46](=[O:47])[OH:48].[F:4][c:5]1[cH:6][cH:7][c:8]([C:11]2([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:12][CH2:13][CH:14]([N:17]3[CH2:18][CH2:19][C:20](=[O:23])[CH2:21][CH2:22]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1.[K+:42].[K+:43].[K:1][C:2]#[N:3].[NH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[OH2:44]>>[C:2](#[N:3])[C:20]1([NH:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:19][CH2:18][N:17]([CH:14]2[CH2:13][CH2:12][C:11]([c:8]3[cH:7][cH:6][c:5]([F:4])[cH:10][cH:9]3)([c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH2:16][CH2:15]2)[CH2:22][CH2:21]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 962WaterHCID 6115AnilineHCID 19660Carbonate IonHCID 133641261-(1~4~,3~4~-Difluoro[2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]]-2~4~-yl)piperidin-4-oneHCID 178511842HCID 178511842, compound

Product 1

HCID 13364167HCID 13364167, compound

Sources & evidence

ORD record
ord-0eaf33d5a5e84c9596c4817267af6ba7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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