Benzene → HCID 86586137, compound

HRID 1208597Notes

Reaction equation

HRID 1208597 reaction equation
[C:1](#[N:2])[CH2:3][CH2:4][O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14][cH:15]1.[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N:23]1[CH2:24][CH2:25][N:26]([C:30]([CH2:31][C:32]([CH3:33])=[O:34])=[O:35])[CH2:27][CH2:28][CH2:29]1.[CH2:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1](#[N:2])[CH2:3][CH2:4][O:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([CH:11]=[C:31]([C:30]([N:26]2[CH2:25][CH2:24][N:23]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:29][CH2:28][CH2:27]2)=[O:35])[C:32]([CH3:33])=[O:34])[cH:13][cH:14][cH:15]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 17825639HCID 17825639, compoundHCID 17825650HCID 17825650, compound

Product 1

HCID 86586137HCID 86586137, compound

Sources & evidence

ORD record
ord-ddee69eb4add4053a2d675c3f6eb5f1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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