Bicarbonate Ion → 5-(3-Aminoprop-1-ynyl)-3-benzothiazol-2-ylpyridin-2-ylamine

HRID 1238760Notes

Reaction equation

HRID 1238760 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][n:13][c:14]([NH2:26])[c:15](-[c:17]2[s:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][cH:24][cH:25]3)[cH:16]1)([CH3:5])([CH3:6])[CH3:27].[Cl:40][CH2:41][Cl:42].[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[OH:28][C:29]([C:30]([F:31])([F:32])[F:33])=[O:34]>>[NH2:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][n:13][c:14]([NH2:26])[c:15](-[c:17]2[s:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][cH:24][cH:25]3)[cH:16]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 67521406HCID 67521406, compound

Product 1

HCID 675208705-(3-Aminoprop-1-ynyl)-3-benzothiazol-2-ylpyridin-2-ylamine

Sources & evidence

ORD record
ord-ff77ec5a2a1d4d84a14d953663a8fbf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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