Toluene → HCID 86239860, compound

HRID 175276Notes

Reaction equation

HRID 175276 reaction equation
[CH2:23]([CH:24]=[CH2:25])[CH:26]1[C:27](=[O:41])[NH:28][CH2:29][CH:30]([c:33]2[c:34]([F:40])[c:35]([F:39])[cH:36][cH:37][cH:38]2)[CH2:31][CH2:32]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([P:7]2(=[S:10])[S:8][P:9]([c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]3)(=[S:19])[S:20]2)[cH:21][cH:22]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[S:10]=[C:27]1[CH:26]([CH2:23][CH:24]=[CH2:25])[CH2:32][CH2:31][CH:30]([c:33]2[c:34]([F:40])[c:35]([F:39])[cH:36][cH:37][cH:38]2)[CH2:29][NH:28]1

Participants

4

Sources & evidence

ORD record
ord-a2d84812288b4950a6b4141bbdb5a4a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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