Toluene → HCID 178423491, compound

HRID 125736Notes

Reaction equation

HRID 125736 reaction equation
[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:8][c:9]1[cH:10][c:11]2[c:12]([nH:13][c:14]([NH:16][CH:17]([CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][CH2:28][C:29]([NH:30][C:31]4=[N:36][CH2:35][CH2:34][CH2:33][NH:32]4)=[O:37])[cH:23][cH:24]3)[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[n:15]2)[cH:45][cH:46]1.[Cl:54][CH2:55][Cl:56].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH3:8][c:9]1[cH:10][c:11]2[c:12]([nH:13][c:14]([NH:16][CH:17]([CH2:18][c:19]3[cH:20][cH:21][c:22]([O:25][CH2:26][CH2:27][CH2:28][C:29]([NH:30][C:31]4=[N:36][CH2:35][CH2:34][CH2:33][NH:32]4)=[O:37])[cH:23][cH:24]3)[C:38](=[O:39])[OH:40])[n:15]2)[cH:45][cH:46]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178423490HCID 178423490, compound

Product 1

HCID 178423491HCID 178423491, compound

Sources & evidence

ORD record
ord-f149401112c940328099b90435cc753a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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