Toluene → Methyl 3-(4-([4-(chloromethyl)benzyl]oxy)phenyl)propanoate

HRID 2126707Notes

Reaction equation

HRID 2126707 reaction equation
[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][OH:8])[cH:9][cH:10]1.[O:43]=[C:44]([O:45][CH2:46][CH3:47])[N:48]=[N:49][C:50]([O:51][CH2:52][CH3:53])=[O:54].[OH:11][c:12]1[cH:13][cH:14][c:15]([CH2:18][CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:16][cH:17]1.[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:12]2[cH:13][cH:14][c:15]([CH2:18][CH2:19][C:20](=[O:21])[O:22][CH3:23])[cH:16][cH:17]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 11776TriphenylphosphineHCID 79706Benzenepropanoic acid, 4-hydroxy-, methyl esterHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 5107660[4-(Chloromethyl)phenyl]methanol

Product 1

HCID 23082857Methyl 3-(4-([4-(chloromethyl)benzyl]oxy)phenyl)propanoate

Sources & evidence

ORD record
ord-3cc10212baf14ecba7136030400819df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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