Bicarbonate Ion → HCID 178485828, compound

HRID 115672Notes

Reaction equation

HRID 115672 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:23][NH:24][C:25](=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:32][cH:33]1.[CH3:54][OH:55].[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][CH:13]1[CH2:14][CH2:15]1)[C:7](=[O:16])[C:6]1([CH3:22])[N:5]2[CH2:20][CH:19]([CH3:21])[O:18][CH2:17]1.[Na+:53].[O-:49][C:50]([OH:51])=[O:52]>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]([NH:27][C:25]([NH:24][CH3:23])=[O:26])[cH:33][cH:32]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][CH:13]1[CH2:14][CH2:15]1)[C:7](=[O:16])[C:6]1([CH3:22])[N:5]2[CH2:20][CH:19]([CH3:21])[O:18][CH2:17]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 312751,4-DioxaneHCID 177502733-Methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ureaHCID 873317052-chloro-5-(cyclopropylmethyl)-6a,9-dimethyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one

Product 1

HCID 178485828HCID 178485828, compound

Sources & evidence

ORD record
ord-5f2fb222d235436b812e5c5ddb254abd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…