Ammonium → HCID 178495058, compound

HRID 2151878Notes

Reaction equation

HRID 2151878 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[C:8](=[O:26])[C:9]([CH3:24])([CH3:25])[O:10][c:11]2[c:12]1[cH:13][c:14]([C:21](=[O:22])[OH:23])[c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2.[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:76][CH2:77][N:78]([CH2:79][CH3:80])[CH2:81][CH3:82].[Cl-:69].[ClH:27].[NH2:49][CH:50]1[CH2:51][N:52]([C:62](=[O:63])[O:64][C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:53][CH2:54][CH:55]1[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[NH4+:70].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[C:8](=[O:26])[C:9]([CH3:24])([CH3:25])[O:10][c:11]2[c:12]1[cH:13][c:14]([C:21](=[O:22])[NH:49][CH:50]1[CH2:51][N:52]([C:62](=[O:63])[O:64][C:65]([CH3:66])([CH3:67])[CH3:68])[CH2:53][CH2:54][CH:55]1[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 16228925tert-Butyl 3-amino-4-phenylpiperidine-1-carboxylateHCID 583758074-(4-Methoxybutyl)-2,2-dimethyl-3-oxo-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid

Product 1

HCID 178495058HCID 178495058, compound

Sources & evidence

ORD record
ord-6faa935fbcf74188b20692e96b884e9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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