Methanol → Chloromethyl 6-(2-chloro-4-[(2-furanylmethyl)amino]-5-(2,2,2-trichloroethoxycarbonyl)phenylsulfonamidomethoxy)(6-oxo)hexanoate

HRID 165186Notes

Reaction equation

HRID 165186 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:48][OH:49].[Cl:1][c:2]1[c:3]([S:23](=[O:24])(=[O:25])[NH:26][CH2:27][O:28][C:29]([CH2:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[OH:36])=[O:37])[cH:4][c:5]([C:15](=[O:16])[O:17][CH2:18][C:19]([Cl:20])([Cl:21])[Cl:22])[c:6]([NH:8][CH2:9][c:10]2[o:11][cH:12][cH:13][cH:14]2)[cH:7]1.[Cl:44][CH2:45][Br:46].[Cs+:42].[Cs+:43].[OH2:47]>>[Cl:1][c:2]1[c:3]([S:23](=[O:24])(=[O:25])[NH:26][CH2:27][O:28][C:29]([CH2:30][CH2:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:45][Cl:44])=[O:37])[cH:4][c:5]([C:15](=[O:16])[O:17][CH2:18][C:19]([Cl:20])([Cl:21])[Cl:22])[c:6]([NH:8][CH2:9][c:10]2[o:11][cH:12][cH:13][cH:14]2)[cH:7]1

Participants

7

Reactant 6

HCID 887MethanolHCID 962WaterHCID 6333BromochloromethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 684556356-(2-Chloro-4-[(2-furanylmethyl)amino]-5-(2,2,2-trichloroethoxycarbonyl)phenylsulfonamidomethoxy)(6-oxo)hexanoic acid

Product 1

HCID 68454251Chloromethyl 6-(2-chloro-4-[(2-furanylmethyl)amino]-5-(2,2,2-trichloroethoxycarbonyl)phenylsulfonamidomethoxy)(6-oxo)hexanoate

Sources & evidence

ORD record
ord-4d8f8dc355ed4e5db67593bba4adbd66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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