Benzene → HCID 86735046, compound

HRID 672554Notes

Reaction equation

HRID 672554 reaction equation
[CH3:1][c:2]1[c:3]([NH:4][CH2:5][CH:6]=[O:7])[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]1.[Cl:26][CH2:27][C:28](=[O:29])[Cl:30].[Na+:14].[Na+:15].[O-:16][C:17](=[O:18])[O-:19].[OH2:31].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH3:1][c:2]1[c:3]([N:4]([CH2:5][CH:6]=[O:7])[C:28]([CH2:27][Cl:26])=[O:29])[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 241BenzeneHCID 923Sodium ion2×HCID 962WaterHCID 6577Chloroacetyl chlorideHCID 19660Carbonate IonHCID 21412834HCID 21412834, compound

Product 1

HCID 86735046HCID 86735046, compound

Sources & evidence

ORD record
ord-6d6ad42ec56244879a5f964b45a20b2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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