Methanol → 2,2,2-Trichloroethyl 2-[2-(aminomethyl)-4-chlorophenyl]azetidine-1-carboxylate

HRID 153047Notes

Reaction equation

HRID 153047 reaction equation
[CH2:1]1[CH2:2][CH2:3][C:5]2=[N:9][CH2:8][CH2:7][CH2:6][N:4]2[CH2:10][CH2:11]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:60][OH:61].[Cl:12][c:13]1[cH:14][c:15]([CH2:31][OH:32])[c:16]([CH:19]2[N:20]([C:23](=[O:24])[O:25][CH2:26][C:27]([Cl:28])([Cl:29])[Cl:30])[CH2:21][CH2:22]2)[cH:17][cH:18]1.[Na+:53].[OH-:52].[OH2:59].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[NH2:4][CH2:31][c:15]1[cH:14][c:13]([Cl:12])[cH:18][cH:17][c:16]1[CH:19]1[N:20]([C:23](=[O:24])[O:25][CH2:26][C:27]([Cl:28])([Cl:29])[Cl:30])[CH2:21][CH2:22]1

Participants

9

Reactant 8

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 186724042,2,2-Trichloroethyl 2-[4-chloro-2-(hydroxymethyl)phenyl]azetidine-1-carboxylate

Product 1

HCID 186723262,2,2-Trichloroethyl 2-[2-(aminomethyl)-4-chlorophenyl]azetidine-1-carboxylate

Sources & evidence

ORD record
ord-a5ffa77c84414a308c673471143621bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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