Methanol → HCID 14458720, compound

HRID 2140962Notes

Reaction equation

HRID 2140962 reaction equation
[C:1]([O:2][CH2:3][CH3:4])(=[O:5])[CH2:6][C:7]([O:8][CH2:9][CH3:10])=[O:11].[CH3:52][OH:53].[Cl:14][c:15]1[n:16][c:17](-[c:24]2[n:25][c:26]([O:30][c:31]3[c:32]([Cl:37])[cH:33][cH:34][cH:35][cH:36]3)[cH:27][cH:28][cH:29]2)[n:18][c:19]([CH2:21][CH2:22][CH3:23])[cH:20]1.[H-:12].[Na+:13].[Na+:39].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH-:38].[OH2:51].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[CH3:1][c:15]1[n:16][c:17](-[c:24]2[n:25][c:26]([O:30][c:31]3[c:32]([Cl:37])[cH:33][cH:34][cH:35][cH:36]3)[cH:27][cH:28][cH:29]2)[n:18][c:19]([CH2:21][CH2:22][CH3:23])[cH:20]1

Participants

11

Reactant 10

HCID 887MethanolHCID 923Sodium ion4×HCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 7761Diethyl MalonateHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 166653HydrideHCID 14458719HCID 14458719, compound

Product 1

HCID 14458720HCID 14458720, compound

Sources & evidence

ORD record
ord-6fa98f2a80fc489ab87572192c15f111
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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