Hydrochloric Acid → HCID 178471134, compound

HRID 684609Notes

Reaction equation

HRID 684609 reaction equation
[Br:23][CH2:24][CH:25]1[CH2:26][CH2:27][CH2:28]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:3][c:4]1[cH:5][c:6]([CH:16]=[CH:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:7][n:8][c:9]1[NH:10][CH:11]1[CH2:12][NH:13][CH2:14][CH2:15]1.[ClH:1].[ClH:2].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49]>>[Cl:3][c:4]1[cH:5][c:6]([CH:16]=[CH:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:7][n:8][c:9]1[NH:10][CH:11]1[CH2:12][N:13]([CH2:24][CH:25]2[CH2:26][CH2:27][CH2:28]2)[CH2:14][CH2:15]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 2734658(Bromomethyl)cyclobutaneHCID 178471129HCID 178471129, compound

Product 1

HCID 178471134HCID 178471134, compound

Sources & evidence

ORD record
ord-b571e13a3e0142dd9a0581f2f32c2a1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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