Hexane → [4-Ethoxy-6-(2-hydroxyethoxy)-1,1,3-trioxo-1,2-benzothiazol-2-yl]methyl 2,6-dichlorobenzoate

HRID 699298Notes

Reaction equation

HRID 699298 reaction equation
[C:45]([O:46][CH2:47][CH3:48])(=[O:49])[CH3:50].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][N:8]2[S:9](=[O:10])(=[O:11])[c:12]3[cH:13][c:14]([O:23][CH2:24][CH2:25][O:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:15][c:16]([O:20][CH2:21][CH3:22])[c:17]3[C:18]2=[O:19])[c:34]([Cl:38])[cH:35][cH:36][cH:37]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][N:8]2[S:9](=[O:10])(=[O:11])[c:12]3[cH:13][c:14]([O:23][CH2:24][CH2:25][OH:26])[cH:15][c:16]([O:20][CH2:21][CH3:22])[c:17]3[C:18]2=[O:19])[c:34]([Cl:38])[cH:35][cH:36][cH:37]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl Acetate2×HCID 70046944[4-Ethoxy-1,1,3-trioxo-6-(2-phenylmethoxyethoxy)-1,2-benzothiazol-2-yl]methyl 2,6-dichlorobenzoate

Product 1

HCID 70044141[4-Ethoxy-6-(2-hydroxyethoxy)-1,1,3-trioxo-1,2-benzothiazol-2-yl]methyl 2,6-dichlorobenzoate

Sources & evidence

ORD record
ord-597915a2ca434bc9a805ef081c413368
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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