Toluene → HCID 86654352, compound

HRID 284699Notes

Reaction equation

HRID 284699 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cs+:41].[Cs+:42].[NH:22]1[CH2:23][CH2:24][CH:25]([CH2:28][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:26][CH2:27]1.[n:1]1[n:2][c:3](-[c:10]2[n:11][c:12]3[c:13]([Br:21])[cH:14][c:15]([F:20])[cH:16][c:17]3[cH:18][cH:19]2)[n:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[n:1]1[n:2][c:3](-[c:10]2[n:11][c:12]3[c:13]([N:22]4[CH2:23][CH2:24][CH:25]([CH2:28][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:26][CH2:27]4)[cH:14][c:15]([F:20])[cH:16][c:17]3[cH:18][cH:19]2)[n:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 5

HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 723429Tert-butyl (piperidin-4-ylmethyl)carbamateHCID 67234327HCID 67234327, compound

Product 1

HCID 86654352HCID 86654352, compound

Sources & evidence

ORD record
ord-10692004858c446c96e3d4678bd0cdf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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