Pyridine → Ethyl 2-[2-(1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylideneamino)-1,3-thiazol-4-yl]acetate

Reaction equation

[CH3:2][S:3][C:4]1=[N+:8]2[CH:7]([CH2:6][S:5]1)[CH2:16][c:15]1[c:10]([cH:11][cH:12][cH:13][cH:14]1)[CH2:9]2.[I-:1].[NH2:17][c:18]1[s:19][cH:20][c:21]([CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[n:22]1.[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[C:4]1(=[N:17][c:18]2[s:19][cH:20][c:21]([CH2:23][C:24](=[O:25])[O:26][CH2:27][CH3:28])[n:22]2)[S:5][CH2:6][CH:7]2[N:8]1[CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][c:15]1[CH2:16]2

Participants

Reactant 4

HCID 1049Pyridine

HCID 30165Iodide Ion

HCID 1044544-Thiazoleacetic acid, 2-amino-, ethyl ester

HCID 128748733-Methylsulfanyl-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-4-ium

Product 1

HCID 56976737Ethyl 2-[2-(1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-ylideneamino)-1,3-thiazol-4-yl]acetate

Sources & evidence

ORD record: ord-cb7b2262a2af40bcba486401bf961696
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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