Toluene → HCID 22993994, compound

HRID 202942Notes

Reaction equation

HRID 202942 reaction equation
[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][c:7](-[c:11]2[n:12][o:13][c:14](-[c:16]3[c:17]([NH2:34])[n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([O:32][CH3:33])[c:25]([O:30][CH3:31])[c:26]([O:28][CH3:29])[cH:27]4)[s:20]3)[n:15]2)[cH:8][cH:9][cH:10]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41]>>[OH:4][c:5]1[cH:6][c:7](-[c:11]2[n:12][o:13][c:14](-[c:16]3[c:17]([NH2:34])[n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([O:32][CH3:33])[c:25]([O:30][CH3:31])[c:26]([O:28][CH3:29])[cH:27]4)[s:20]3)[n:15]2)[cH:8][cH:9][cH:10]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 312751,4-DioxaneHCID 53955924HCID 53955924, compound

Product 1

HCID 22993994HCID 22993994, compound

Sources & evidence

ORD record
ord-e477353cc3504379b61743fd65f9d0f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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