Hydrochloric Acid → (+/-)-2-Aminomethylchroman-6-sulfonic acid {4-[4-(3-cyclopentylpropyl)-5-oxo-4,5-dihydrotetrazol-1-yl]phenyl}amide

HRID 2344750Notes

Reaction equation

HRID 2344750 reaction equation
[BH3:4].[CH3:1][S:2][CH3:3].[CH3:50][OH:51].[CH:5]1([CH2:10][CH2:11][CH2:12][n:13]2[n:14][n:15][n:16](-[c:19]3[cH:20][cH:21][c:22]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[cH:30][c:31]5[c:36]([cH:37][cH:38]4)[O:35][CH:34]([C:39](=[O:40])[NH2:41])[CH2:33][CH2:32]5)[cH:23][cH:24]3)[c:17]2=[O:18])[CH2:6][CH2:7][CH2:8][CH2:9]1.[ClH:42].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH-:43]>>[CH:5]1([CH2:10][CH2:11][CH2:12][n:13]2[n:14][n:15][n:16](-[c:19]3[cH:20][cH:21][c:22]([NH:25][S:26](=[O:27])(=[O:28])[c:29]4[cH:30][c:31]5[c:36]([cH:37][cH:38]4)[O:35][CH:34]([CH2:39][NH2:41])[CH2:33][CH2:32]5)[cH:23][cH:24]3)[c:17]2=[O:18])[CH2:6][CH2:7][CH2:8][CH2:9]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 1068Dimethyl SulfideHCID 6331BoraneHCID 8028TetrahydrofuranHCID 20798319(+/-)-6-{4-[4-(3-Cyclopentylpropyl)-5-oxo-4,5-dihydrotetrazol-1-yl]phenylsulfamoyl}chroman-2-carboxylic acid amide

Product 1

HCID 15462820(+/-)-2-Aminomethylchroman-6-sulfonic acid {4-[4-(3-cyclopentylpropyl)-5-oxo-4,5-dihydrotetrazol-1-yl]phenyl}amide

Sources & evidence

ORD record
ord-87a3ac83da5242f084f5ff8b6fccd33d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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