Toluene → HCID 58012109, compound

HRID 672826Notes

Reaction equation

HRID 672826 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]([C:6](=[O:7])[O-:8])[n:9]1[c:10](-[c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[n:11][n:12]([CH2:15][C:16]([NH:17][CH2:18][c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)=[O:29])[c:13]1=[O:14].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:51][CH2:52][Cl:53].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[CH2:5]([C:6](=[O:7])[OH:8])[n:9]1[c:10](-[c:30]2[cH:31][cH:32][c:33]([Cl:36])[cH:34][cH:35]2)[n:11][n:12]([CH2:15][C:16]([NH:17][CH2:18][c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)=[O:29])[c:13]1=[O:14]

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178445525HCID 178445525, compound

Product 1

HCID 58012109HCID 58012109, compound

Sources & evidence

ORD record
ord-a1d33e1875394054b9508e5a48590dc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…