Hydrochloric Acid → Hydrochloric Acid

HRID 181686Notes

Reaction equation

HRID 181686 reaction equation
[BH4-:26].[CH3:22][OH:23].[CH3:24][NH2:25].[CH3:34][OH:35].[ClH:28].[Na+:27].[Na+:29].[OH:30][C:31](=[O:32])[O-:33].[c:1]1(-[c:7]2[cH:8][c:9]([CH:20]=[O:21])[cH:10][n:11]2[S:12](=[O:13])(=[O:14])[c:15]2[s:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:28].[c:1]1(-[c:7]2[cH:8][c:9]([CH2:20][NH:25][CH3:24])[cH:10][n:11]2[S:12](=[O:13])(=[O:14])[c:15]2[s:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion2×HCID 6329MethylamineHCID 28123BorohydrideHCID 862328445-Phenyl-1-(2-thienylsulfonyl)-1H-pyrrole-3-carbaldehyde

Product 2

HCID 313Hydrochloric AcidHCID 57522261N-methyl-1-(5-phenyl-1-thiophen-2-ylsulfonylpyrrol-3-yl)methanamine

Sources & evidence

ORD record
ord-85ef2a0bc1b343f8ba4388d7236d30a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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