Sodium ion → HCID 68672018, compound

HRID 2122550Notes

Reaction equation

HRID 2122550 reaction equation
[CH3:50][C:51](=[CH:52][CH3:53])[CH3:54].[CH3:65][C:66]([OH:67])([CH3:68])[CH3:69].[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[Cl+:55]([O-:56])[O-:57].[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:34][C:35]([c:36]4[c:37]([F:44])[cH:38][cH:39][c:40]([CH:42]=[O:43])[cH:41]4)=[O:45])[n:10][n:11]([C:15]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:12]3[cH:13][cH:14]2)[cH:46][c:47]([F:49])[cH:48]1.[Na+:58].[Na+:59].[OH2:70].[OH:60][P:61](=[O:62])([O-:63])[OH:64]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[cH:7][c:8]3[c:9]([NH:34][C:35]([c:36]4[c:37]([F:44])[cH:38][cH:39][c:40]([C:42](=[O:43])[OH:56])[cH:41]4)=[O:45])[n:10][n:11]([C:15]([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:12]3[cH:13][cH:14]2)[cH:46][c:47]([F:49])[cH:48]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 8857Ethyl AcetateHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 86647620HCID 86647620, compound

Product 1

HCID 68672018HCID 68672018, compound

Sources & evidence

ORD record
ord-b9e34f343d414dd39ad2d82173bf2867
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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