Bicarbonate Ion → HCID 58169815, compound

HRID 1116857Notes

Reaction equation

HRID 1116857 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][O:54][CH2:55]1.[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH:23]1([NH:26][C:27](=[O:28])[NH:29][c:30]2[cH:31][cH:32][c:33]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:34][cH:35]2)[CH2:24][CH2:25]1.[Cl:1][c:2]1[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][C:13]([CH3:14])([F:15])[F:16])[C:7](=[O:17])[C:6]1([CH3:22])[N:5]2[CH2:21][CH2:20][O:19][CH2:18]1.[Na+:49].[O-:45][C:46]([OH:47])=[O:48]>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([NH:29][C:27]([NH:26][CH:23]3[CH2:24][CH2:25]3)=[O:28])[cH:35][cH:34]2)[n:3][c:4]2[c:9]([cH:10][n:11]1)[N:8]([CH2:12][C:13]([CH3:14])([F:15])[F:16])[C:7](=[O:17])[C:6]1([CH3:22])[N:5]2[CH2:21][CH2:20][O:19][CH2:18]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 44119149N-Cyclopropyl-N'-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ureaHCID 781653442-chloro-5-(2,2-difluoropropyl)-6a-methyl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6(5H)-one

Product 1

HCID 58169815HCID 58169815, compound

Sources & evidence

ORD record
ord-141c7cc15532464a84313a73e6179024
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…