Toluene → HCID 68872500, compound

HRID 2154012Notes

Reaction equation

HRID 2154012 reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:16]([NH:17][CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1.[N:23]1([c:29]2[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][n:36]2)[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([C:12]([F:13])([F:14])[F:15])[cH:10][cH:11]1)[N:26]1[CH2:25][CH2:24][N:23]([c:29]2[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][n:36]2)[CH2:28][CH2:27]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 7912DiisopropylamineHCID 27364642-chloro-N-[4-(trifluoromethyl)phenyl]acetamideHCID 27372032-(Piperazin-1-yl)pyridine-3-carbonitrile

Product 1

HCID 68872500HCID 68872500, compound

Sources & evidence

ORD record
ord-d6c1d77d462641ff993fc9275a691de4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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