Toluene → HCID 16040701, compound

HRID 2144805Notes

Reaction equation

HRID 2144805 reaction equation
[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([CH2:18][N:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27][CH2:28][O:29][CH3:30])[cH:31][cH:32]2)[s:13]3)[cH:33][cH:34][c:35]([NH:37][C:38](=[O:39])[N:40]2[C:41](=[O:52])[N:42]([c:45]3[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]3)[CH2:43][CH2:44]2)[cH:36]1.[F:53][C:54]([F:55])([F:56])[C:57]([OH:58])=[O:59]>>[F:1][c:2]1[c:3]([O:4][c:5]2[c:6]3[c:7]([n:8][cH:9][cH:10]2)[cH:11][c:12](-[c:14]2[cH:15][cH:16][c:17]([CH2:18][NH:19][CH2:27][CH2:28][O:29][CH3:30])[cH:31][cH:32]2)[s:13]3)[cH:33][cH:34][c:35]([NH:37][C:38](=[O:39])[N:40]2[C:41](=[O:52])[N:42]([c:45]3[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]3)[CH2:43][CH2:44]2)[cH:36]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 58790393HCID 58790393, compound

Product 1

HCID 16040701HCID 16040701, compound

Sources & evidence

ORD record
ord-e60293b1695b4ee09fe88a94dd567c2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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