Hydrochloric Acid → HCID 22261787, compound

HRID 1573483Notes

Reaction equation

HRID 1573483 reaction equation
[CH2:37]([N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46])[CH3:47].[CH3:58][C:59]#[N:60].[ClH:36].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH2:21])[OH:22])[cH:6][cH:7]1.[O:23]=[C:24]1[CH2:25][CH:26]([C:33](=[O:34])[OH:35])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]21.[OH2:61].[OH:48][n:49]1[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH:21][C:33]([CH:26]2[CH2:25][C:24](=[O:23])[c:32]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)=[O:34])[OH:22])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 998151H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-HCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Product 1

HCID 22261787HCID 22261787, compound

Sources & evidence

ORD record
ord-f3f7d8b5725a437a9ca2b898d3f2f091
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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