Tetrahydrofuran → 1-{2-[(4-Hydroxypiperidine-1-carbonyl)-amino]-ethyl}-1H-benzoimidazole-5-carboxylic Acid (5-hydroxy-adamantan-2-yl)-amide

HRID 696509Notes

Reaction equation

HRID 696509 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[OH:1][C:2]12[CH2:3][CH:4]3[CH:5]([NH:12][C:13](=[O:14])[c:15]4[cH:16][c:17]5[c:18]([n:19]([CH2:22][CH2:23][NH2:24])[cH:20][n:21]5)[cH:25][cH:26]4)[CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2.[OH:36][CH:37]1[CH2:38][CH2:39][N:40]([C:43](=[O:44])[Cl:45])[CH2:41][CH2:42]1>>[OH:1][C:2]12[CH2:3][CH:4]3[CH:5]([NH:12][C:13](=[O:14])[c:15]4[cH:16][c:17]5[c:18]([n:19]([CH2:22][CH2:23][NH:24][C:43]([N:40]6[CH2:39][CH2:38][CH:37]([OH:36])[CH2:42][CH2:41]6)=[O:44])[cH:20][n:21]5)[cH:25][cH:26]4)[CH:6]([CH2:7][CH:8]([CH2:9]1)[CH2:10]3)[CH2:11]2

Participants

5

Reactant 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 669876871-(2-aminoethyl)-1H-benzimidazole-5-carboxylic acid (5-hydroxy-adamantan-2-yl)-amideHCID 866300624-Hydroxypiperidine-1-carbonyl Chloride

Product 1

HCID 576851361-{2-[(4-Hydroxypiperidine-1-carbonyl)-amino]-ethyl}-1H-benzoimidazole-5-carboxylic Acid (5-hydroxy-adamantan-2-yl)-amide

Sources & evidence

ORD record
ord-c55631c2753b40b89f6c3bd4d2c1dbfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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