Toluene → HCID 10184394, compound

HRID 672658Notes

Reaction equation

HRID 672658 reaction equation
[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:53][CH2:54][Cl:55].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[s:8]1[c:9]([NH:17][CH:18]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][C:30]([NH:31][C:32]3=[N:37][CH2:36][CH2:35][CH2:34][NH:33]3)=[O:38])[cH:24][cH:25]2)[C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[s:8]1[c:9]([NH:17][CH:18]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][CH2:27][CH2:28][CH2:29][C:30]([NH:31][C:32]3=[N:37][CH2:36][CH2:35][CH2:34][NH:33]3)=[O:38])[cH:24][cH:25]2)[C:39](=[O:40])[OH:41])[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 145860387HCID 145860387, compound

Product 1

HCID 10184394HCID 10184394, compound

Sources & evidence

ORD record
ord-7f0ea3f8e21b4673a2861f33ea1da973
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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