Benzene → HCID 21517661, compound
Reaction equation
[C:31]([CH:32]=[O:33])(=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[OH2:40].[c:1]1([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][CH:21]2[C:22](=[O:30])[NH:23][CH:24]2[S:25][CH2:26][C:27]#[C:28][CH3:29])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[c:1]1([C:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][CH:21]2[C:22](=[O:30])[N:23]([CH:32]([C:31](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[OH:33])[CH:24]2[S:25][CH2:26][C:27]#[C:28][CH3:29])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-2841b0badb89486caa11711963bb3137
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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