Hydrogen Bromide → HCID 57460260, compound

HRID 191505Notes

Reaction equation

HRID 191505 reaction equation
[Br:36][CH2:37][c:38]1[n:39][cH:40][cH:41][cH:42][cH:43]1.[BrH:35].[C:29](=[O:30])([O-:31])[O-:32].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][OH:28])[nH:8][c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cs+:33].[Cs+:34]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][c:7]([CH2:27][OH:28])[n:8]([CH2:37][c:38]2[n:39][cH:40][cH:41][cH:42][cH:43]2)[c:9](=[O:26])[c:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1

Participants

8

Reactant 7

HCID 260Hydrogen BromideHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5642092-(Bromomethyl)pyridineHCID 136026859HCID 136026859, compound

Product 1

HCID 57460260HCID 57460260, compound

Sources & evidence

ORD record
ord-ac5473d4bb014901a7a447e81e707c52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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