3-Bromotoluene → HCID 12003973, compound

HRID 298061Notes

Reaction equation

HRID 298061 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[C:9](=[O:10])([O-:11])[O-:12].[Cs+:13].[Cs+:14].[O:15]1[CH2:16][CH2:17][O:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([NH:25][c:26]1[c:27]3[c:28]([n:29][cH:30][n:31]1)[CH2:32][NH:33][CH2:34][CH2:35]3)[cH:24]2.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[c:2]1([N:33]2[CH2:32][c:28]3[c:27]([c:26]([NH:25][c:23]4[cH:22][cH:21][c:20]5[c:19]([cH:24]4)[O:18][CH2:17][CH2:16][O:15]5)[n:31][cH:30][n:29]3)[CH2:35][CH2:34]2)[cH:3][c:4]([CH3:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 115603-BromotolueneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 59021505HCID 59021505, compound

Product 1

HCID 12003973HCID 12003973, compound

Sources & evidence

ORD record
ord-c2e9a8b247664fd68a141f94a1e36fed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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