Hydrochloric Acid → HCID 178496388, compound

HRID 186853Notes

Reaction equation

HRID 186853 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][N:9]=[CH:10][CH:11]1[CH:12]2[CH:13]([O:14][C:15]([CH3:17])([CH3:18])[O:16]1)[CH:19]([O:23][CH3:24])[C:20](=[O:22])[O:21]2.[CH2:48]([CH:49]([CH2:50][CH2:51][CH2:52][CH3:53])[C:54]([O-:55])=[O:56])[CH3:57].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[ClH:25].[NH2:26][CH:27]1[C:28](=[O:47])[N:29]([CH2:34][c:35]2[cH:36][cH:37][c:38](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:39][cH:40]2)[CH2:30][CH2:31][CH2:32][CH2:33]1.[Na+:58]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][N:9]=[CH:10][CH:11]1[CH:12]([OH:21])[CH:13]([CH:19]([C:20](=[O:22])[NH:26][CH:27]2[C:28](=[O:47])[N:29]([CH2:34][c:35]3[cH:36][cH:37][c:38](-[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:39][cH:40]3)[CH2:30][CH2:31][CH2:32][CH2:33]2)[O:23][CH3:24])[O:14][C:15]([CH3:17])([CH3:18])[O:16]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 40723562-EthylhexanoateHCID 178493940HCID 178493940, compoundHCID 178507616HCID 178507616, compound

Product 1

HCID 178496388HCID 178496388, compound

Sources & evidence

ORD record
ord-5dfe278bbece40c394cded2bb44fb2d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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