Toluene → HCID 178488099, compound

HRID 2331207Notes

Reaction equation

HRID 2331207 reaction equation
[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:8][O:9][c:10]1[cH:11][c:12]2[c:13]([nH:14][c:15]([NH:17][CH:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][C:30]([NH:31][C:32]4=[N:37][CH2:36][CH2:35][CH2:34][NH:33]4)=[O:38])[cH:24][cH:25]3)[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[n:16]2)[cH:46][cH:47]1.[Cl:55][CH2:56][Cl:57].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[CH3:8][O:9][c:10]1[cH:11][c:12]2[c:13]([nH:14][c:15]([NH:17][CH:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][C:30]([NH:31][C:32]4=[N:37][CH2:36][CH2:35][CH2:34][NH:33]4)=[O:38])[cH:24][cH:25]3)[C:39](=[O:40])[OH:41])[n:16]2)[cH:46][cH:47]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 178488098HCID 178488098, compound

Product 1

HCID 178488099HCID 178488099, compound

Sources & evidence

ORD record
ord-8391b39fda8a498ca4434dc23aa2146c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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