Hydrochloric Acid → HCID 178509529, compound

HRID 1233698Notes

Reaction equation

HRID 1233698 reaction equation
[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[ClH:31].[ClH:34].[ClH:43].[NH2:32][OH:33].[Na+:36].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH-:35].[c:1]1([CH2:11][N:12]2[CH2:13][CH2:14][CH:15]([CH2:18][NH:19][c:20]3[n:21][c:22]4[c:23]([nH:24]3)[cH:25][cH:26][c:27]([CH:29]=[O:30])[cH:28]4)[CH2:16][CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([CH2:11][N:12]2[CH2:13][CH2:14][CH:15]([CH2:18][NH:19][c:20]3[n:21][c:22]4[c:23]([nH:24]3)[cH:25][cH:26][c:27]([C:29]#[N:32])[cH:28]4)[CH2:16][CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 313Hydrochloric Acid3×HCID 787HydroxylamineHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 312751,4-DioxaneHCID 178519373HCID 178519373, compound

Product 1

HCID 178509529HCID 178509529, compound

Sources & evidence

ORD record
ord-93df23730621487a9935baf6625ecf86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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