Hydrochloric Acid → HCID 22727088, compound

HRID 1139560Notes

Reaction equation

HRID 1139560 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:44][CH2:45][OH:46].[CH3:47][OH:48].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([CH2:36][C:37](=[O:38])[O:39][CH3:40])[N:18]([NH:22][CH:23]4[CH2:24][CH2:25][N:26]([c:29]5[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]5)[CH2:27][CH2:28]4)[C:19](=[O:21])[CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1.[ClH:43].[Na+:42].[OH-:41]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([S:12](=[O:13])(=[O:14])[N:15]3[CH2:16][CH:17]([CH2:36][C:37](=[O:38])[OH:39])[N:18]([NH:22][CH:23]4[CH2:24][CH2:25][N:26]([c:29]5[cH:30][c:31]([CH3:35])[n:32][cH:33][cH:34]5)[CH2:27][CH2:28]4)[C:19](=[O:21])[CH2:20]3)[cH:8][c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 69545679HCID 69545679, compound

Product 1

HCID 22727088HCID 22727088, compound

Sources & evidence

ORD record
ord-ac2077f9454a4552b2f09193e13da52d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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