Benzene → HCID 136342125, compound

HRID 698793Notes

Reaction equation

HRID 698793 reaction equation
[CH2:25]1[CH2:26][O:27][CH2:28][CH2:29][NH:30]1.[CH3:33][Al:34]([CH3:35])[CH3:36].[N:31]#[N:32].[Na+:41].[O-:37][C:38]([OH:39])=[O:40].[OH:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([N+:22](=[O:23])[O-:24])[cH:8][c:9]2[c:10]1-[c:11]1[n:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][cH:21]1.[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[OH:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([N+:22](=[O:23])[O-:24])[cH:8][c:9]2[c:10]1-[c:11]1[n:12][cH:13][c:14]([C:15](=[O:16])[N:30]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[cH:20][cH:21]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 947NitrogenHCID 8083MorpholineHCID 16682925TrimethylaluminumHCID 136342113HCID 136342113, compound

Product 1

HCID 136342125HCID 136342125, compound

Sources & evidence

ORD record
ord-2a49940cacf0418a90e864fcfb8225b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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