Toluene → HCID 44612467, compound

HRID 2311681Notes

Reaction equation

HRID 2311681 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]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]([N:16]([CH3:17])[CH3:18])=[O:19])[CH2:13][CH2:14]2)[cH:7]1.[Cs+:35].[Cs+:36].[NH2:20][c:21]1[n:22][cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[cH:30]1>>[c:2]1([NH:20][c:21]2[n:22][cH:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]3[cH:30]2)[n:3][cH:4][cH:5][c:6]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15]([N:16]([CH3:17])[CH3:18])=[O:19])[CH2:13][CH2:14]2)[cH:7]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 311869Isoquinolin-3-AmineHCID 58285186HCID 58285186, compound

Product 1

HCID 44612467HCID 44612467, compound

Sources & evidence

ORD record
ord-bb9f7719d728484ea400672f054b3d68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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