Toluene → HCID 44612471, compound

HRID 1142032Notes

Reaction equation

HRID 1142032 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[CH2:13][CH2:14]2)[cH:7]1.[Cs+:41].[Cs+:42].[NH2:26][c:27]1[n:28][cH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[cH:36]1>>[c:2]1([NH:26][c:27]2[n:28][cH:29][c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]3[cH:36]2)[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([CH2:16][O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[CH2:13][CH2:14]2)[cH:7]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 311869Isoquinolin-3-AmineHCID 86653861HCID 86653861, compound

Product 1

HCID 44612471HCID 44612471, compound

Sources & evidence

ORD record
ord-d8b60e3d9655498cb357acfc8f65dd94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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