Toluene → HCID 57850328, compound

HRID 95097Notes

Reaction equation

HRID 95097 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([NH2:36])[c:22]3[n:23][c:24]2[S:25][c:26]2[cH:27][c:28]3[c:29]([cH:33][c:34]2[Br:35])[O:30][CH2:31][O:32]3)[cH:12][cH:13]1)([CH3:5])([CH3:6])[CH3:37].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[NH2:7][c:8]1[cH:9][cH:10][c:11]([CH2:14][CH2:15][n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([NH2:36])[c:22]3[n:23][c:24]2[S:25][c:26]2[cH:27][c:28]3[c:29]([cH:33][c:34]2[Br:35])[O:30][CH2:31][O:32]3)[cH:12][cH:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 57850781HCID 57850781, compound

Product 1

HCID 57850328HCID 57850328, compound

Sources & evidence

ORD record
ord-ef969aafe22b4bffbcf26198126ab12c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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