Toluene → HCID 68685883, compound

HRID 683633Notes

Reaction equation

HRID 683633 reaction equation
[CH3:1][O:2][c:3]1[cH:4][c:5]([O:26][CH3:27])[cH:28][cH:29][c:30]1[CH2:31][n:6]1[c:7](=[O:25])[c:8]2[n:9]([c:10]([CH2:12][c:13]3[cH:14][c:15]([F:21])[c:16]([C:17]#[N:18])[cH:19][cH:20]3)[cH:11]1)[cH:22][cH:23][cH:24]2.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:32][CH2:33][Cl:34].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[nH:6]1[c:7](=[O:25])[c:8]2[n:9]([c:10]([CH2:12][c:13]3[cH:14][c:15]([F:21])[c:16]([C:17]#[N:18])[cH:19][cH:20]3)[cH:11]1)[cH:22][cH:23][cH:24]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68689700HCID 68689700, compound

Product 1

HCID 68685883HCID 68685883, compound

Sources & evidence

ORD record
ord-e14f102e58e54878ab7a5aebd99ba992
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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