Toluene → HCID 66917890, compound

HRID 2130682Notes

Reaction equation

HRID 2130682 reaction equation
[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:27][CH2:28][CH:29]=[CH:30][CH2:31][OH:32].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[N:14]1[CH2:15][CH2:16][N:17]([CH2:28][CH:29]=[CH:30][CH2:31][OH:32])[CH2:18][CH2:19]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6228DimethylformamideHCID 70048BenzhydrylpiperazineHCID 81531DiisopropylethylamineHCID 53394963HCID 53394963, compound

Product 1

HCID 66917890HCID 66917890, compound

Sources & evidence

ORD record
ord-0f0ab3d10cd745acbad3fbdd3911b5d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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