Hydrochloric Acid → HCID 22261451, compound

HRID 108598

Reaction equation

HRID 108598 reaction equation
[CH2:40]([N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49])[CH3:50].[CH3:61][C:62]#[N:63].[ClH:39].[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.[O:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38]1.[OH2:64].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]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:34]([c:33]1[cH:32][cH:31][c:30]([O:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:38][cH:37]1)=[O:35]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 751824-Phenoxybenzoic acidHCID 757711-HydroxybenzotriazoleHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22261451HCID 22261451, compound

Sources & evidence

ORD record
ord-78803dfcedbf4bef87bbcdbd8a21bbef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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