Toluene → HCID 14100468, compound

HRID 690388Notes

Reaction equation

HRID 690388 reaction equation
[CH2:18]([Cl:19])[Cl:20].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[Cl:12][C:13](=[O:14])[C:15]([Cl:16])=[O:17].[Cl:21][c:22]1[cH:23][cH:24][c:25]([C:28]([C:29]([O:30][c:31]2[c:32]([O:38][CH3:39])[cH:33][c:34]([NH2:35])[cH:36][cH:37]2)([F:40])[F:41])([F:42])[F:43])[cH:26][cH:27]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[NH2:6])[c:7]([F:11])[cH:8][cH:9][cH:10]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:13](=[O:14])[NH:35][c:34]2[cH:33][c:32]([O:38][CH3:39])[c:31]([O:30][C:29]([C:28]([c:25]3[cH:24][cH:23][c:22]([Cl:21])[cH:27][cH:26]3)([F:42])[F:43])([F:40])[F:41])[cH:37][cH:36]2)[c:7]([F:11])[cH:8][cH:9][cH:10]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 6344DichloromethaneHCID 8900HeptaneHCID 65578Oxalyl chlorideHCID 874392,6-DifluorobenzamideHCID 14100467HCID 14100467, compound

Product 1

HCID 14100468HCID 14100468, compound

Sources & evidence

ORD record
ord-5b1f7ff6549c46c2a5fc472234dbabf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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