Toluene → HCID 67403049, compound

HRID 1124810Notes

Reaction equation

HRID 1124810 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH2:31][CH:32]3[CH2:33][CH2:34]3)[c:7]([CH2:9][O:10][CH2:11][C:12]3([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[n:8]2)[cH:35][cH:36]1.[C:37](#[N:38])[c:39]1[cH:40][cH:41][c:42]([B:45]([OH:46])[OH:47])[cH:43][cH:44]1.[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cs+:52].[Cs+:53]>>[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([C:37]#[N:38])[cH:44][cH:43]2)[cH:3][c:4]2[c:5]([n:6]([CH2:31][CH:32]3[CH2:33][CH2:34]3)[c:7]([CH2:9][O:10][CH2:11][C:12]3([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[n:8]2)[cH:35][cH:36]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27343264-Cyanophenylboronic acidHCID 57546192HCID 57546192, compound

Product 1

HCID 67403049HCID 67403049, compound

Sources & evidence

ORD record
ord-80967490fe4e4127823d6f3da5c8f1cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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