Toluene → HCID 24800231, compound

HRID 691667Notes

Reaction equation

HRID 691667 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:29]1([B:32]([OH:33])[OH:34])[CH2:30][CH2:31]1.[Cl:1][c:2]1[n:3][c:4]([CH2:12][O:13][CH2:14][C:15]2([c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Cs+:39].[Cs+:40]>>[c:2]1([CH:29]2[CH2:30][CH2:31]2)[n:3][c:4]([CH2:12][O:13][CH2:14][C:15]2([c:22]3[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]3)[CH2:16][CH2:17][N:18]([CH3:21])[CH2:19][CH2:20]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2760897Cyclopropylboronic acidHCID 24801457HCID 24801457, compound

Product 1

HCID 24800231HCID 24800231, compound

Sources & evidence

ORD record
ord-b0535f51f8894f7cba8695569f219a96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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