Hydrochloric Acid → methyl N-[1-[2-[5-[4-[4-[2-[(1-acetyl-8-oxa-1-azaspiro[4.5]decane-2-carbonyl)amino]acetyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

HRID 2319197Notes

Reaction equation

HRID 2319197 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([C:14](=[O:15])[OH:16])[CH2:6][CH2:7][C:8]12[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2.[ClH:17].[ClH:18].[NH2:19][CH2:20][C:21](=[O:22])[c:23]1[cH:24][cH:25][c:26](-[c:29]2[cH:30][cH:31][c:32](-[c:35]3[n:36][c:37]([CH:40]4[N:41]([C:45](=[O:46])[CH:47]([CH:48]([CH3:49])[CH3:50])[NH:51][C:52]([O:53][CH3:54])=[O:55])[CH2:42][CH2:43][CH2:44]4)[nH:38][cH:39]3)[cH:33][cH:34]2)[cH:27][cH:28]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH:5]([C:14](=[O:16])[NH:19][CH2:20][C:21](=[O:22])[c:23]2[cH:24][cH:25][c:26](-[c:29]3[cH:30][cH:31][c:32](-[c:35]4[n:36][c:37]([CH:40]5[N:41]([C:45](=[O:46])[CH:47]([CH:48]([CH3:49])[CH3:50])[NH:51][C:52]([O:53][CH3:54])=[O:55])[CH2:42][CH2:43][CH2:44]5)[nH:38][cH:39]4)[cH:33][cH:34]3)[cH:27][cH:28]2)[CH2:6][CH2:7][C:8]12[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2

Participants

4

Reactant 3

HCID 313Hydrochloric Acid2×HCID 58313095HCID 58313095, compoundHCID 178502170HCID 178502170, compound

Product 1

HCID 178502172methyl N-[1-[2-[5-[4-[4-[2-[(1-acetyl-8-oxa-1-azaspiro[4.5]decane-2-carbonyl)amino]acetyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-afda64c506634fd7a80ce8a7f170b3a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…