Toluene → HCID 67327567, compound

HRID 1212174Notes

Reaction equation

HRID 1212174 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][c:29]2[n:30][cH:31][cH:32][cH:33][cH:34]2)[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:56][CH2:57][Cl:58].[OH:42][C:43]([C:44]([F:45])([F:46])[F:47])=[O:48]>>[CH2:1]([CH3:2])[c:3]1[c:4]([NH:25][CH2:26][CH:27]([NH:28][c:29]2[n:30][cH:31][cH:32][cH:33][cH:34]2)[C:35](=[O:36])[OH:37])[n:5][cH:6][n:7][c:8]1[N:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]3[c:23]([n:24]2)[NH:22][CH2:21][CH2:20][CH2:19]3)[CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68453879HCID 68453879, compound

Product 1

HCID 67327567HCID 67327567, compound

Sources & evidence

ORD record
ord-cd425cbc9bb84cc4a91d6506a6d683ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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