Ammonium → HCID 67009609, compound

HRID 1120017Notes

Reaction equation

HRID 1120017 reaction equation
[Br-:44].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:29][c:30]2[cH:31][cH:32][c:33](-[c:36]3[c:37]([C:42]#[N:43])[cH:38][cH:39][cH:40][cH:41]3)[cH:34][cH:35]2)[c:7](=[O:28])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][CH2:21][C:22](=[O:23])[N:24]([O:25][CH3:26])[CH3:27])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][cH:13]2.[CH3:45][Mg+:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl-:53].[NH4+:54].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:29][c:30]2[cH:31][cH:32][c:33](-[c:36]3[c:37]([C:42]#[N:43])[cH:38][cH:39][cH:40][cH:41]3)[cH:34][cH:35]2)[c:7](=[O:28])[n:8]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][CH2:21][CH:22]([OH:23])[CH3:47])[CH2:18][CH2:19]2)[c:9]2[n:10]1[n:11][cH:12][cH:13]2

Participants

8

Reactant 7

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 86644064HCID 86644064, compoundHCID 178477777HCID 178477777, compound

Product 1

HCID 67009609HCID 67009609, compound

Sources & evidence

ORD record
ord-ce95406c57094f19ac79c327a83eba66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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