Benzene → HCID 67823394, compound

HRID 702862Notes

Reaction equation

HRID 702862 reaction equation
[CH3:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[CH3:44][CH2:45][OH:46].[NH2-:2].[Na:1].[OH2:43].[c:10]1([CH2:16][C:17]#[N:18])[cH:11][cH:12][cH:13][cH:14][cH:15]1.[c:19]1([CH2:25][N:26]2[CH2:27][CH2:28][CH:29]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:30][CH2:31]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:10]1([C:16]([C:17]#[N:18])=[C:32]([CH:29]2[CH2:28][CH2:27][N:26]([CH2:25][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:31][CH2:30]2)[OH:33])[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 702EthanolHCID 962WaterHCID 1140TolueneHCID 8794PhenylacetonitrileHCID 90423Ethyl 1-benzylpiperidine-4-carboxylateHCID 2826723AzanideHCID 5360545Sodium

Product 1

HCID 67823394HCID 67823394, compound

Sources & evidence

ORD record
ord-9e08c122fffc478bbf46ec3990ae5e05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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