Sodium ion → HCID 178520467, compound

HRID 212785Notes

Reaction equation

HRID 212785 reaction equation
[C:52]([OH:53])([CH3:54])([CH3:55])[CH3:56].[CH3:47][C:48](=[CH:49][CH3:50])[CH3:51].[Cl+:37]([O-:38])[O-:39].[Cl:1][c:2]1[c:3]([C:33]([F:34])([F:35])[F:36])[cH:4][c:5]([NH:8][C:9]([CH2:10][CH2:11][c:12]2[cH:13][c:14]([O:18][c:19]3[cH:20][c:21](-[c:25]4[nH:26][c:27]([CH:30]=[O:31])[cH:28][n:29]4)[n:22][cH:23][cH:24]3)[cH:15][cH:16][cH:17]2)=[O:32])[cH:6][cH:7]1.[Na+:40].[Na+:41].[OH2:57].[OH:42][P:43](=[O:44])([O-:45])[OH:46]>>[Cl:1][c:2]1[c:3]([C:33]([F:34])([F:35])[F:36])[cH:4][c:5]([NH:8][C:9]([CH2:10][CH2:11][c:12]2[cH:13][c:14]([O:18][c:19]3[cH:20][c:21](-[c:25]4[n:26][c:27]([C:30](=[O:31])[OH:38])[cH:28][nH:29]4)[n:22][cH:23][cH:24]3)[cH:15][cH:16][cH:17]2)=[O:32])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 58674620HCID 58674620, compound

Product 1

HCID 178520467HCID 178520467, compound

Sources & evidence

ORD record
ord-cc32f441bede4bba9555c25020277ad7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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