Dimethyl Sulfoxide → N-[5-(6-chloro-1H-benzimidazol-2-yl)-5-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]pentyl]pyridine-4-carboxamide

HRID 691685Notes

Reaction equation

HRID 691685 reaction equation
[CH3:52][S:53]([CH3:54])=[O:55].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([c:7]1[n:8][c:9]2[c:10]([nH:11]1)[cH:12][cH:13][c:14]([Cl:16])[cH:15]2)[NH:17][C:18]([c:19]1[cH:20][c:21]([CH3:32])[c:22]([C:25](=[O:26])[N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:23][cH:24]1)=[O:33].[OH:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[NH:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([c:7]1[n:8][c:9]2[c:10]([nH:11]1)[cH:12][cH:13][c:14]([Cl:16])[cH:15]2)[NH:17][C:18]([c:19]1[cH:20][c:21]([CH3:32])[c:22]([C:25](=[O:26])[N:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:23][cH:24]1)=[O:33])[C:44](=[O:43])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 5922Isonicotinic AcidHCID 81531DiisopropylethylamineHCID 178427066HCID 178427066, compound

Product 1

HCID 178427070N-[5-(6-chloro-1H-benzimidazol-2-yl)-5-[[3-methyl-4-(pyrrolidine-1-carbonyl)benzoyl]amino]pentyl]pyridine-4-carboxamide

Sources & evidence

ORD record
ord-6d9dd5d8b17a41d1a78b0cfbf1bfabc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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