Hydrochloric Acid → HCID 178443144, compound

HRID 305260Notes

Reaction equation

HRID 305260 reaction equation
[C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)(=[O:30])[Cl:31].[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH2:1]([CH:2]=[C:3]([CH3:4])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:9])[CH2:10][CH2:11][CH:12]=[C:13]([CH3:14])[CH3:15])[S:16][CH2:17][CH:18]([NH2:19])[C:20](=[O:21])[OH:22].[CH2:35]([N:36]([CH2:37][CH3:38])[CH2:39][CH3:40])[CH3:41].[CH3:48][OH:49].[ClH:32].[Na+:34].[OH-:33]>>[CH2:1]([CH:2]=[C:3]([CH3:4])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:9])[CH2:10][CH2:11][CH:12]=[C:13]([CH3:14])[CH3:15])[S:16][CH2:17][CH:18]([NH:19][C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30])[C:20](=[O:21])[OH:22]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 7412Benzoyl chlorideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 54331582HCID 54331582, compound

Product 1

HCID 178443144HCID 178443144, compound

Sources & evidence

ORD record
ord-56109ee0f7d547f8a05b0f0406963002
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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