Bicarbonate Ion → HCID 67344430, compound

HRID 288925Notes

Reaction equation

HRID 288925 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9]([NH2:11])[n:10]2.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][P:28]([CH3:29])[CH3:30].[CH3:31][c:32]1[n:33][s:34][c:35]([N:37]2[CH2:38][CH2:39][C:40](=[O:43])[CH2:41][CH2:42]2)[n:36]1.[CH3:54][OH:55].[Cl:12][C:13]([C:14]([Cl:15])([Cl:16])[Cl:17])([Cl:18])[Cl:19].[Na+:48].[O-:44][C:45]([OH:46])=[O:47]>>[Br:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9]([NH:11][CH:40]1[CH2:39][CH2:38][N:37]([c:35]3[s:34][n:33][c:32]([CH3:31])[n:36]3)[CH2:42][CH2:41]1)[n:10]2

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6214HexachloroethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 68983TrimethylphosphineHCID 545940257-Bromo[1,2,4]triazolo[1,5-a]pyridin-2-amineHCID 592585101-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-one

Product 1

HCID 67344430HCID 67344430, compound

Sources & evidence

ORD record
ord-d2b3c3d7f8bb460e982b9ce2fe69aa12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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