Hydrochloric Acid → Hydrochloric Acid

HRID 1563361Notes

Reaction equation

HRID 1563361 reaction equation
[Br:31][CH:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:39].[H-:1].[Na+:2].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:63].[c:3]1([CH2:13][N:14]2[CH2:15][CH2:16][C:17]3([C:18](=[O:28])[NH:19][CH2:20][N:21]3[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:29][CH2:30]2)[cH:4][cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12>>[ClH:39].[c:3]1([CH2:13][N:14]2[CH2:15][CH2:16][C:17]3([C:18](=[O:28])[N:19]([CH:32]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38])[CH2:20][N:21]3[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:29][CH2:30]2)[cH:4][cH:5][cH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12

Participants

12

Reactant 10

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 79040Ethyl 2-bromopropionateHCID 166653HydrideHCID 9907463HCID 9907463, compound

Product 2

HCID 313Hydrochloric AcidHCID 20679448HCID 20679448, compound

Sources & evidence

ORD record
ord-a13387663fa84bca9513cb2f283f6c5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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