Ethyl Acetate → methyl 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxypropyl)thiazole-4-carboxylate

HRID 160414Notes

Reaction equation

HRID 160414 reaction equation
[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([C:32]#[C:33][CH2:34][OH:35])[c:26]([C:28](=[O:29])[O:30][CH3:31])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([CH2:32][CH2:33][CH2:34][OH:35])[c:26]([C:28](=[O:29])[O:30][CH3:31])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

3

Reactant 2

HCID 8857Ethyl AcetateHCID 59447607methyl 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxyprop-1-ynyl)thiazole-4-carboxylate

Product 1

HCID 59447541methyl 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxypropyl)thiazole-4-carboxylate

Sources & evidence

ORD record
ord-2b37a5788a324244849aba3b939c54bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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