Hydrochloric Acid → HCID 53895150, compound

HRID 2348280Notes

Reaction equation

HRID 2348280 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]2[S:17][CH:18]([CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[C:19](=[O:38])[N:20]2[CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH2:26][O:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][cH:33]2)[O:34][CH2:35][O:36]3)[CH3:37])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH3:48][CH2:49][OH:50].[ClH:47].[Na+:46].[OH-:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:16]2[S:17][CH:18]([CH2:39][C:40](=[O:41])[OH:42])[C:19](=[O:38])[N:20]2[CH2:21][CH2:22][CH2:23][N:24]([CH2:25][CH2:26][O:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][cH:33]2)[O:34][CH2:35][O:36]3)[CH3:37])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 544079592-(3, 5-Di-tert-butyl-4-hydroxyphenyl)-3-[3-[N-methyl-N-[2-(3,4-methylenedioxyphenoxy)ethyl]amino]-propyl]-5-ethoxycarbonylmethyl-1,3-thiazolidin-4-one

Product 1

HCID 53895150HCID 53895150, compound

Sources & evidence

ORD record
ord-6a8501289afe4a23862d9b69f5b3df13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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