1-Butanol → 6-[2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]-indol-2-yl)ethyl]-2,7-dimethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

HRID 682121Notes

Reaction equation

HRID 682121 reaction equation
[C:29](=[O:30])([OH:31])[O-:32].[CH2:16]1[NH:17][CH2:18][CH2:19][c:20]2[nH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[c:28]21.[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[Cl:1][CH2:2][CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[n:11][c:12]([CH3:14])[s:13]2.[I-:35].[K+:34].[Na+:33]>>[CH2:2]([CH2:3][c:4]1[c:5]([CH3:15])[n:6][c:7]2[n:8]([c:9]1=[O:10])[n:11][c:12]([CH3:14])[s:13]2)[N:17]1[CH2:16][c:28]2[c:20]([nH:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]32)[CH2:19][CH2:18]1

Participants

8

Reactant 7

HCID 2631-ButanolHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 30165Iodide IonHCID 7232301H,2H,3H,4H,5H-pyrido[4,3-b]indoleHCID 155864606-(2-chloroethyl)-2,7-dimethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

Product 1

HCID 186774246-[2-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]-indol-2-yl)ethyl]-2,7-dimethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one

Sources & evidence

ORD record
ord-a0b20a77d9684caf97cdf9df3bb39466
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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