Toluene → HCID 15702727, compound

HRID 2124069Notes

Reaction equation

HRID 2124069 reaction equation
[C:1](=[O:2])([OH:3])[CH:4]([C:5](=[CH2:6])[CH3:7])[N:8]1[C:9](=[O:34])[CH:10]([NH:24][C:25]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH:11]1[S:12][N:13]1[C:14](=[O:23])[c:15]2[c:16]([cH:19][cH:20][cH:21][cH:22]2)[C:17]1=[O:18].[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[CH3:51][CH2:52][O:53][CH2:54][CH3:55].[N+:35](=[N-:36])=[CH2:37].[c:44]1([CH3:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1]([O:2][CH3:37])(=[O:3])[CH:4]([C:5](=[CH2:6])[CH3:7])[N:8]1[C:9](=[O:34])[CH:10]([NH:24][C:25]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[O:33])[CH:11]1[S:12][N:13]1[C:14](=[O:23])[c:15]2[c:16]([cH:19][cH:20][cH:21][cH:22]2)[C:17]1=[O:18]

Participants

6

Sources & evidence

ORD record
ord-0bd7bb28f90c4a3b9f83d5d253795e62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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