Sodium ion → 2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1,3-benzothiazole

HRID 142683Notes

Reaction equation

HRID 142683 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][c:14]([B:17]([OH:18])[OH:19])[cH:15][c:16]23)[CH2:6][CH2:7]1.[Cl:20][c:21]1[s:22][c:23]2[c:24]([n:25]1)[cH:26][cH:27][cH:28][cH:29]2.[Cl:30][CH2:31][Cl:32].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][nH:10][c:11]3[cH:12][cH:13][c:14](-[c:21]4[s:22][c:23]5[c:24]([n:25]4)[cH:26][cH:27][cH:28][cH:29]5)[cH:15][c:16]23)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 119872-ChlorobenzothiazoleHCID 19660Carbonate IonHCID 120418133-(1-Methylpiperidin-4-yl)-1H-Indole-5-Boronic Acid

Product 1

HCID 120432572-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1,3-benzothiazole

Sources & evidence

ORD record
ord-a4a88c451ea94b4fa2bb0673f968625f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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