Hydrochloric Acid → HCID 178439260, compound

HRID 109290Notes

Reaction equation

HRID 109290 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([C:29](=[O:30])[NH:31][CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH2:11][S:12][C:13]12[CH2:14][CH2:15][CH:16]([O:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]1)[CH2:17][CH2:18]2.[CH3:48][CH2:49][OH:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[ClH:47].[Na+:45].[OH-:44].[OH2:46]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([C:29](=[O:30])[NH:31][CH2:32][CH2:33][C:34](=[O:35])[OH:36])[CH2:11][S:12][C:13]12[CH2:14][CH2:15][CH:16]([O:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([CH3:27])[CH3:28])[cH:24][cH:25]1)[CH2:17][CH2:18]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 178439259benzyl 3-[[4-benzoyl-8-(4-propan-2-ylphenoxy)-1-thia-4-azaspiro[4.5]decane-3-carbonyl]amino]propanoate

Product 1

HCID 178439260HCID 178439260, compound

Sources & evidence

ORD record
ord-022d58f00918449988f15329efa7abdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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