Hydrochloric Acid → HCID 178453249, compound

HRID 2152102Notes

Reaction equation

HRID 2152102 reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][CH:31]([CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[C:39](=[O:40])[OH:41].[CH2:43]([N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52])[CH3:53].[CH3:64][C:65]#[N:66].[ClH:42].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1.[OH2:67].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[C:39]([CH:31]([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:40]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 2696982-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acidHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 178453249HCID 178453249, compound

Sources & evidence

ORD record
ord-65f34503976e43fe86613305f663943e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…