Dichloromethane → 5-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]-dioxole-2,2-dicarboxylic acid bis-methoxycarbonylmethyl ester

HRID 1204028Notes

Reaction equation

HRID 1204028 reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6](=[O:7])[O:8][CH3:9])[O:10][C:11](=[O:12])[C:13]1([C:43](=[O:44])[OH:45])[O:14][c:15]2[c:16]([cH:18][cH:19][c:20]([CH2:22][CH:23]([CH3:24])[N:25]([CH2:26][CH:27]([OH:28])[c:29]3[cH:30][c:31]([Cl:35])[cH:32][cH:33][cH:34]3)[C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[cH:21]2)[O:17]1.[Cl:53][CH2:54][Cl:55].[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]([C:6](=[O:7])[O:8][CH3:9])[O:10][C:11](=[O:12])[C:13]1([C:43](=[O:44])[OH:45])[O:14][c:15]2[c:16]([cH:18][cH:19][c:20]([CH2:22][CH:23]([CH3:24])[NH:25][CH2:26][CH:27]([OH:28])[c:29]3[cH:30][c:31]([Cl:35])[cH:32][cH:33][cH:34]3)[cH:21]2)[O:17]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 675816405-(2-{tert-Butoxycarbonyl-[2-(3-chloro-phenyl)-2-hydroxy-ethyl]-amino}-propyl)-benzo[1,3]dioxole-2,2-dicarboxylic acid bis-methoxycarbonyl-methyl ester

Product 1

HCID 544143725-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]-dioxole-2,2-dicarboxylic acid bis-methoxycarbonylmethyl ester

Sources & evidence

ORD record
ord-a59bb3ccad924074bb8dac523e724944
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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