Acetic Acid → HCID 178457057, compound

HRID 2320422Notes

Reaction equation

HRID 2320422 reaction equation
[BrH:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5](=[O:6])(=[O:7])[CH2:8][CH:9]1[CH:10]([N:20]2[C:21](=[O:36])[CH:22]([NH:25][C:26](=[O:27])[O:28][CH2:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:23][CH2:24]2)[CH2:11][CH2:12][CH:13]([N:15]([CH3:16])[CH:17]([CH3:18])[CH3:19])[CH2:14]1.[C:43]([OH:44])(=[O:45])[CH3:46].[CH3:37][CH2:38][O:39][CH2:40][CH3:41].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[S:5](=[O:6])(=[O:7])[CH2:8][CH:9]1[CH:10]([N:20]2[C:21](=[O:36])[CH:22]([NH2:25])[CH2:23][CH2:24]2)[CH2:11][CH2:12][CH:13]([N:15]([CH3:16])[CH:17]([CH3:18])[CH3:19])[CH2:14]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 3283Diethyl EtherHCID 8857Ethyl AcetateHCID 178457064HCID 178457064, compound

Product 1

HCID 178457057HCID 178457057, compound

Sources & evidence

ORD record
ord-13e76cd2cb634d139f72546a516dba2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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