Toluene → Chloride

HRID 2335264Notes

Reaction equation

HRID 2335264 reaction equation
[CH2:27]([CH2:28][CH2:29][CH3:30])[P:31]([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH:11]=[CH:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:26])[cH:7][cH:8]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH:11]=[CH:12][c:13]2[cH:14][c:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:16][cH:17][cH:18]2)=[O:26])[cH:7][cH:8]1)[P+:31]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH2:38][CH3:39].[Cl-:1]

Participants

5

Reactant 3

HCID 1140TolueneHCID 13831TributylphosphineHCID 54107296N-[4-(chloromethyl)phenyl]-3-[3-(4-methylphenyl)phenyl]prop-2-enamide

Product 2

HCID 312ChlorideHCID 69352622HCID 69352622, compound

Sources & evidence

ORD record
ord-1237348b8fb54d618b48694962b71e1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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