Hydrochloric Acid → HCID 21271727, compound

HRID 2312030Notes

Reaction equation

HRID 2312030 reaction equation
[CH2:23]([CH3:24])[O:25][C:26]([CH2:27][CH2:28][CH2:29][Br:30])=[O:31].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41].[Cl:2][c:3]1[cH:4][c:5]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]3[c:21]([cH:22]2)[CH2:20][NH:19][CH2:18][CH2:17]3)[cH:6][cH:7][cH:8]1.[ClH:1]>>[Cl:2][c:3]1[cH:4][c:5]([NH:9][S:10](=[O:11])(=[O:12])[c:13]2[cH:14][cH:15][c:16]3[c:21]([cH:22]2)[CH2:20][N:19]([CH2:29][CH2:28][CH2:27][C:26]([O:25][CH2:23][CH3:24])=[O:31])[CH2:18][CH2:17]3)[cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 76300Ethyl 4-bromobutyrateHCID 12606940HCID 12606940, compound

Product 1

HCID 21271727HCID 21271727, compound

Sources & evidence

ORD record
ord-492948c0a2094593be43df0719c8275a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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