Hydrochloric Acid → (RS)-2-{1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}-2-(3,5-difluorophenyl)-N-(3-dimethylamino-propyl)acetamide

HRID 304973Notes

Reaction equation

HRID 304973 reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH2:6])[CH3:7].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:9][N:10]([CH3:11])[CH2:12][CH2:13][CH2:14][N:15]=[C:16]=[N:17][CH2:18][CH3:19].[Cl:32][c:33]1[cH:34][cH:35][c:36]([CH:39]([N:40]2[CH2:41][CH:42]([CH:44]([C:45](=[O:46])[OH:47])[c:48]3[cH:49][c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]3)[CH2:43]2)[c:56]2[cH:57][cH:58][c:59]([Cl:62])[cH:60][cH:61]2)[cH:37][cH:38]1.[Cl:63][CH2:64][Cl:65].[ClH:31].[ClH:8].[OH2:20].[OH:21][c:22]1[c:23]2[n:24][n:25][nH:26][c:27]2[cH:28][cH:29][cH:30]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][NH:6][C:45]([CH:44]([CH:42]1[CH2:41][N:40]([CH:39]([c:36]2[cH:35][cH:34][c:33]([Cl:32])[cH:38][cH:37]2)[c:56]2[cH:57][cH:58][c:59]([Cl:62])[cH:60][cH:61]2)[CH2:43]1)[c:48]1[cH:49][c:50]([F:55])[cH:51][c:52]([F:54])[cH:53]1)=[O:46])[CH3:7]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6344DichloromethaneHCID 7993N,N-Dimethyl-1,3-propanediamineHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 225067022-[1-[Bis(4-chlorophenyl)methyl]azetidin-3-yl]-2-(3,5-difluorophenyl)acetic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 22506766(RS)-2-{1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}-2-(3,5-difluorophenyl)-N-(3-dimethylamino-propyl)acetamide

Sources & evidence

ORD record
ord-1876cb70f1724d1f87c8449a638dc6ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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