Dichloromethane → Oxalic Acid

HRID 2327217Notes

Reaction equation

HRID 2327217 reaction equation
[C:49]([C:50](=[O:51])[O-:52])(=[O:53])[O-:54].[CH2:55]([Cl:56])[Cl:57].[CH3:14][O:15][c:16]1[cH:17][cH:18][c:19]([CH:22]2[S:23][c:24]3[c:25]([cH:38][cH:39][cH:40][cH:41]3)[N:26]([CH2:31][CH2:32][N:33]([CH2:34][CH2:35][CH3:36])[CH3:37])[C:27](=[O:30])[CH:28]2[OH:29])[cH:20][cH:21]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10]1>>[C:49]([C:50](=[O:51])[OH:52])(=[O:53])[OH:54].[Cl:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([C:6](=[O:7])[O:29][CH:28]2[CH:22]([c:19]3[cH:18][cH:17][c:16]([O:15][CH3:14])[cH:21][cH:20]3)[S:23][c:24]3[c:25]([cH:38][cH:39][cH:40][cH:41]3)[N:26]([CH2:31][CH2:32][N:33]([CH2:34][CH2:35][CH3:36])[CH3:37])[C:27]2=[O:30])[cH:9][cH:10]1

Participants

7

Reactant 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 71081OxalateHCID 108677844-Chloro-2-nitrobenzoyl chlorideHCID 134215433-Hydroxy-2-(4-methoxyphenyl)-5-[2-[methyl(propyl)amino]ethyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Product 2

HCID 971Oxalic AcidHCID 13421519[2-(4-Methoxyphenyl)-5-[2-[methyl(propyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 4-chloro-2-nitrobenzoate

Sources & evidence

ORD record
ord-34bb5d43a5fe4233b4e80ce97ca6a41b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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