Benzene → HCID 21418526, compound

HRID 1145165Notes

Reaction equation

HRID 1145165 reaction equation
[C:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[CH3:20][O:21][c:22]1[c:23]([C:24](=[O:25])[Cl:26])[cH:27][c:28]([Cl:31])[cH:29][cH:30]1.[NH2:1][CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[cH:8][cH:9]1.[Na+:18].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH-:17].[OH2:19].[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[NH:1]([CH2:2][CH2:3][c:4]1[cH:5][cH:6][c:7](-[c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[cH:8][cH:9]1)[C:24]([c:23]1[c:22]([O:21][CH3:20])[cH:30][cH:29][c:28]([Cl:31])[cH:27]1)=[O:25]

Participants

9

Reactant 8

HCID 241BenzeneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 123841765-Chloro-2-methoxybenzoyl chlorideHCID 14850211HCID 14850211, compound

Product 1

HCID 21418526HCID 21418526, compound

Sources & evidence

ORD record
ord-33f386d04c904d97b268d42479bb006d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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