Toluene → HCID 87421361, compound

HRID 185083Notes

Reaction equation

HRID 185083 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:22][CH2:23][CH2:24][C:25]#[N:26])[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[O:21])[s:9]1.[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32]([P:33]2(=[S:36])[S:34][P:35]([c:37]3[cH:38][cH:39][c:40]([O:41][CH3:42])[cH:43][cH:44]3)(=[S:45])[S:46]2)[cH:47][cH:48]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:22][CH2:23][CH2:24][C:25]#[N:26])[c:8](=[N:10][C:11]([c:12]2[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)=[S:36])[s:9]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 87949Lawesson's reagentHCID 67493309HCID 67493309, compound

Product 1

HCID 87421361HCID 87421361, compound

Sources & evidence

ORD record
ord-9f49aee23f2040debb59f6a942dfba88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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