Ammonium → HCID 178505888, compound

HRID 2159465Notes

Reaction equation

HRID 2159465 reaction equation
[CH2:16]1[O:17][CH2:18][CH2:19][CH2:20]1.[CH3:10][C:11]([CH3:12])([O-:13])[CH3:14].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl-:47].[Cl:21][c:22]1[c:23](-[c:28]2[n:29][nH:30][c:31]3[n:32][c:33]([S:37]([CH3:38])(=[O:39])=[O:40])[n:34][cH:35][c:36]23)[cH:24][cH:25][cH:26][cH:27]1.[F:1][c:2]1[c:3]([OH:9])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[K+:15].[NH4+:48].[OH2:49]>>[F:1][c:2]1[c:3]([O:9][c:33]2[n:32][c:31]3[nH:30][n:29][c:28](-[c:23]4[c:22]([Cl:21])[cH:27][cH:26][cH:25][cH:24]4)[c:36]3[cH:35][n:34]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 1230512,4-DifluorophenolHCID 45749132-Methylpropan-2-olateHCID 178504839HCID 178504839, compound

Product 1

HCID 178505888HCID 178505888, compound

Sources & evidence

ORD record
ord-140c327be63140b787debae9b8c5070f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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