Hydrochloric Acid → 4-{[4-(2-methoxy-ethylcarbamoyl)-1H-benzimidazol-2-ylamino)-methyl}-piperidine-1-carboxylic acid tert-butyl ester

HRID 144645Notes

Reaction equation

HRID 144645 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][cH:22][cH:23][c:24]3[C:25](=[O:26])[OH:27])[CH2:12][CH2:13]1.[CH2:45]([N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54])[CH3:55].[CH3:39][O:40][CH2:41][CH2:42][NH2:43].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:44].[O:63]1[CH2:64][CH2:65][CH2:66][CH2:67]1.[OH2:28].[OH2:62].[OH:29][n:30]1[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][cH:22][cH:23][c:24]3[C:25](=[O:27])[NH:43][CH2:42][CH2:41][O:40][CH3:39])[CH2:12][CH2:13]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 80182-MethoxyethylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 690661932-[(1-tert-butoxycarbonyl-piperidin-4-ylmethyl)-amino]-1H-benzimidazole-4-carboxylic acid

Product 1

HCID 690661524-{[4-(2-methoxy-ethylcarbamoyl)-1H-benzimidazol-2-ylamino)-methyl}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-ed77dfa8584941e5aa37b05ba58a00fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…