Ammonium → HCID 68468290, compound

HRID 112446Notes

Reaction equation

HRID 112446 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl-:35].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([N+:30]([O-:31])=[O:32])[c:14]([O:15][c:16]3[c:17]([F:27])[cH:18][c:19]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:20][cH:21]3)[cH:28][cH:29]2)[cH:33][cH:34]1.[NH4+:36].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([NH2:30])[c:14]([O:15][c:16]3[c:17]([F:27])[cH:18][c:19]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:20][cH:21]3)[cH:28][cH:29]2)[cH:33][cH:34]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 68467044Methyl 2-(4-(4-((4-chlorophenethyl)carbamoyl)-2-nitrophenoxy)-3-fluorophenyl)acetate

Product 1

HCID 68468290HCID 68468290, compound

Sources & evidence

ORD record
ord-085761a2e5fd4b36a8c3df8ffd051572
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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