Toluene → HCID 367509, compound

HRID 141475Notes

Reaction equation

HRID 141475 reaction equation
[C:11]([CH2:12][C:13](=[O:14])[CH3:15])(=[O:16])[O:17][CH2:18][CH3:19].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10]1.[CH2:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]=[C:12]([C:11](=[O:16])[O:17][CH2:18][CH3:19])[C:13](=[O:14])[CH3:15])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 8082PiperidineHCID 8868Ethyl AcetoacetateHCID 660424-Cyanobenzaldehyde

Product 1

HCID 367509HCID 367509, compound

Sources & evidence

ORD record
ord-c16c6c46599c46a68799ce9327b76dc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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