Methanol → HCID 14281075, compound

HRID 2340568Notes

Reaction equation

HRID 2340568 reaction equation
[CH2:1]([C:2]([CH2:3][CH3:4])([C:5]([O-:6])=[O:7])[C:8]([O-:9])=[O:10])[CH3:11].[CH3:48][OH:49].[Cl:14][c:15]1[n:16][c:17](-[c:22]2[n:23][c:24](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:25][cH:26][cH:27]2)[n:18][c:19]([CH3:21])[cH:20]1.[H-:12].[Na+:13].[Na+:35].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:34].[OH2:47].[S:36](=[O:37])(=[O:38])([OH:39])[OH:40]>>[CH3:1][c:15]1[n:16][c:17](-[c:22]2[n:23][c:24](-[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:25][cH:26][cH:27]2)[n:18][c:19]([CH3:21])[cH:20]1

Participants

11

Reactant 10

HCID 887MethanolHCID 923Sodium ion4×HCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 166653HydrideHCID 69515632,2-DiethylpropanedioateHCID 14281141HCID 14281141, compound

Product 1

HCID 14281075HCID 14281075, compound

Sources & evidence

ORD record
ord-e1ac78186f2f4e989e84b84eb05e0778
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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