Ammonia → 3-[4-({[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanamide

HRID 141165Notes

Reaction equation

HRID 141165 reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:34])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][NH:21][c:22]3[cH:23][c:24]([F:33])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1.[CH2:39]([N:41]=[C:40]=[N:42][CH2:43][CH2:44][CH2:45][NH2:46])[CH3:47].[CH3:35][OH:36].[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:70][C:71]#[N:72].[ClH:38].[NH3:37].[Na+:65].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1.[OH:66][C:67](=[O:68])[O-:69]>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:34])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][NH:21][c:22]3[cH:23][c:24]([F:33])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[NH2:41])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1

Participants

11

Reactant 10

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6342AcetonitrileHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 12905555Ethyl-aminopropyl carbodiimideHCID 231572823-[4-({[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanoic acid

Product 1

HCID 231574943-[4-({[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanamide

Sources & evidence

ORD record
ord-a9b73d08258348b890aabe75af136743
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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