Toluene → HCID 91565625, compound

HRID 168800Notes

Reaction equation

HRID 168800 reaction equation
[C:1]([O:2][CH2:3][CH:4]([CH2:5][O:6][N+:7](=[O:8])[O-:9])[O:10][N+:11](=[O:12])[O-:13])([O:14][CH2:15][C:16](=[C:17]([CH2:18][O:19][Si:20]([C:21]([CH3:22])([CH3:23])[CH3:24])([CH3:25])[CH3:26])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]1)=[O:43].[CH3:44][C:45]#[N:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1]([O:2][CH2:3][CH:4]([CH2:5][O:6][N+:7](=[O:8])[O-:9])[O:10][N+:11](=[O:12])[O-:13])([O:14][CH2:15][C:16](=[C:17]([CH2:18][OH:19])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]1)=[O:43]

Participants

4

Sources & evidence

ORD record
ord-459cf0e1f7e84295b2e1678b2bb150eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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