Bicarbonate Ion → HCID 178498229, compound

HRID 292223Notes

Reaction equation

HRID 292223 reaction equation
[C:52](=[O:53])([OH:54])[O-:55].[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:27][O:28][C:29](=[O:30])[CH:31]1[C:32]([CH3:44])([CH3:45])[CH2:33][C:34]([OH:37])([c:38]2[s:39][c:40]([Br:43])[cH:41][n:42]2)[CH2:35][CH2:36]1.[CH:1]1([c:4]2[cH:5][c:6]([NH:19][c:20]3[n:21][cH:22][cH:23][c:24]([CH3:26])[n:25]3)[cH:7][c:8]([B:10]3[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]3)[cH:9]2)[CH2:2][CH2:3]1.[Na+:56].[OH2:57]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:19][c:20]3[n:21][cH:22][cH:23][c:24]([CH3:26])[n:25]3)[cH:7][c:8](-[c:40]3[s:39][c:38]([C:34]4([OH:37])[CH2:33][C:32]([CH3:44])([CH3:45])[CH:31]([C:29]([O:28][CH3:27])=[O:30])[CH2:36][CH2:35]4)[n:42][cH:41]3)[cH:9]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 58456230N-[3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpyrimidin-2-amineHCID 67429606Methyl 4-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylate

Product 1

HCID 178498229HCID 178498229, compound

Sources & evidence

ORD record
ord-2eee51e3ca5b43d9a008c3d461cb33c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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