Hydrochloric Acid → HCID 178459511, compound

HRID 297627Notes

Reaction equation

HRID 297627 reaction equation
[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][S:56]([CH3:57])=[O:58].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[ClH:48].[OH:10][CH2:11][CH:12]1[CH:13]([O:31][CH:32]2[O:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH2:14][CH:15]2[O:16][CH2:17][CH:18]([CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30])[CH2:19][CH2:20][CH:21]12.[S:38](=[O:39])(=[O:40])=[O:41].[n:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[O:10]=[CH:11][CH:12]1[CH:13]([O:31][CH:32]2[O:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[CH2:14][CH:15]2[O:16][CH2:17][CH:18]([CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30])[CH2:19][CH2:20][CH:21]12

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 1049PyridineHCID 8857Ethyl AcetateHCID 24682Sulfur trioxideHCID 81531DiisopropylethylamineHCID 178459512HCID 178459512, compound

Product 1

HCID 178459511HCID 178459511, compound

Sources & evidence

ORD record
ord-9853911565b74da9905b7bdd4b2bf2b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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