Benzene → HCID 20240405, compound

HRID 1205768Notes

Reaction equation

HRID 1205768 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:13][C:14]([C:15]([Cl:16])=[O:17])=[O:18].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:51].[OH:19][NH:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:11])[OH:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[c:1]1([CH2:7][CH2:8][CH2:9][C:10](=[O:12])[N:20]([OH:19])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

11

Reactant 10

HCID 241BenzeneHCID 962WaterHCID 47754-Phenylbutyric AcidHCID 6228DimethylformamideHCID 7518N-PhenylhydroxylamineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 8894TetrahydropyranHCID 65578Oxalyl chloride

Product 1

HCID 20240405HCID 20240405, compound

Sources & evidence

ORD record
ord-3f30f09cf992436b88f447b9b28722d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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