Toluene → HCID 54032034, compound

HRID 1120266Notes

Reaction equation

HRID 1120266 reaction equation
[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH3:25][O:26][c:27]1[c:28]([N:34]2[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]2)[cH:29][c:30]([NH2:33])[cH:31][cH:32]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:41][CH2:42][Cl:43].[S:14]([Cl:15])([Cl:16])=[O:17].[c:1]1([CH:7]=[CH:8][CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]=[CH:8][CH:9]=[CH:10][C:11](=[O:13])[NH:33][c:30]2[cH:29][c:28]([N:34]3[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]3)[c:27]([O:26][CH3:25])[cH:32][cH:31]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 737775-Phenyl-2,4-pentadienoic acidHCID 103311014-Methoxy-3-(4-methylpiperazin-1-yl)aniline

Product 1

HCID 54032034HCID 54032034, compound

Sources & evidence

ORD record
ord-d86fca66403645f3bbf539a44df567c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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