Hydrochloric Acid → Hydrochloric Acid

HRID 164974Notes

Reaction equation

HRID 164974 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:84][CH2:85][Cl:86].[ClH:1].[ClH:35].[ClH:77].[F:2][C:3]([F:4])([F:5])[c:6]1[cH:7][c:8]([CH2:18][O:19][CH2:20][CH:21]([CH2:11][NH2:12])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:17]1.[NH2:36][c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[NH:43][CH2:44][CH:45]([CH2:46][O:47][CH2:48][c:49]2[cH:50][c:51]([C:59]([F:60])([F:61])[F:62])[cH:52][c:53]([C:55]([F:56])([F:57])[F:58])[cH:54]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70]1.[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[O:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1>>[CH2:11]([NH2:12])[c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[NH:43][CH2:44][CH:45]([CH2:46][O:47][CH2:48][c:49]2[cH:50][c:51]([C:59]([F:60])([F:61])[F:62])[cH:52][c:53]([C:55]([F:56])([F:57])[F:58])[cH:54]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70]1.[ClH:1]

Participants

8

Reactant 6

HCID 313Hydrochloric Acid3×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 312751,4-Dioxane2×HCID 866240413-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropan-1-amineHCID 866240554-amino-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]benzamide

Product 2

HCID 313Hydrochloric AcidHCID 866240574-(aminomethyl)-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]benzamide

Sources & evidence

ORD record
ord-b0904a69985c4dbf9ffcd6519b76fa2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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