Potassium Cation → 1-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperazine-2-thione

HRID 1551022Notes

Reaction equation

HRID 1551022 reaction equation
[CH2:36]([c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[N:43]1[C:44](=[S:49])[CH2:45][NH:46][CH2:47][CH2:48]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:19][S:20](=[O:21])(=[O:22])[Cl:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][S:32]([OH:33])(=[O:34])=[O:35].[CH:58]([OH:59])([CH3:60])[CH3:61].[I-:57].[K+:50].[K+:51].[Na+:56].[O-:52][C:53]([O-:54])=[O:55].[n:1]1[n:2][cH:3][n:4](-[c:6]2[cH:7][c:8]3[c:9]([CH2:15][CH2:16][CH2:17][OH:18])[cH:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:5]1>>[n:1]1[n:2][cH:3][n:4](-[c:6]2[cH:7][c:8]3[c:9]([CH2:15][CH2:16][CH2:17][N:46]4[CH2:45][C:44](=[S:49])[N:43]([CH2:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH2:48][CH2:47]4)[cH:10][nH:11][c:12]3[cH:13][cH:14]2)[cH:5]1

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 3776IsopropanolHCID 6395Methanesulfonic AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 31297Methanesulfonyl chlorideHCID 106083781-Benzylpiperazine-2-thioneHCID 106339143-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol

Product 1

HCID 105746711-Benzyl-4-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperazine-2-thione

Sources & evidence

ORD record
ord-4b2ce33698f643a681571cd10d2708fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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