3-Pyridinemethanamine → 2-(3-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

HRID 123714Notes

Reaction equation

HRID 123714 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]2[s:6][cH:7][c:8]([CH2:9][N:10]3[CH2:11][CH2:12][N:13]([c:14]4[s:15][c:16]([C:17]([OH:18])=[O:19])[c:20]([CH3:21])[n:22]4)[C:23]3=[O:24])[c:25]2[cH:26]1.[NH2:52][CH2:53][c:54]1[cH:55][n:56][cH:57][cH:58][cH:59]1.[n:27]1[s:28][n:29][c:30]2[c:31]1[cH:32][cH:33][c:34]([CH2:36][N:37]1[C:38](=[O:51])[N:39]([c:42]3[s:43][c:44]([C:48](=[O:49])[OH:50])[c:45]([CH3:47])[n:46]3)[CH2:40][CH2:41]1)[cH:35]2>>[n:27]1[s:28][n:29][c:30]2[c:31]1[cH:32][cH:33][c:34]([CH2:36][N:37]1[C:38](=[O:51])[N:39]([c:42]3[s:43][c:44]([C:48](=[O:50])[NH:52][CH2:53][c:54]4[cH:55][n:56][cH:57][cH:58][cH:59]4)[c:45]([CH3:47])[n:46]3)[CH2:40][CH2:41]1)[cH:35]2

Participants

4

Reactant 3

HCID 310183-PyridinemethanamineHCID 580315052-(3-((5-Chlorobenzo[b]thiophen-3-yl)methyl)-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxylic acidHCID 580316352-(3-(Benzo[c][1,2,5]thiadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl)-4-methylthiazole-5-carboxylic acid

Product 1

HCID 250974382-(3-(benzo[c][1,2,5]thiadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide

Sources & evidence

ORD record
ord-532539d7dd4c4bcdb13f3a86fe68f46e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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