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

HRID 2350331Notes

Reaction equation

HRID 2350331 reaction equation
[CH3:100][CH2:101][N:102]([CH2:103][CH3:104])[CH2:105][CH3:106].[CH3:35][NH2:36].[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH:13]([C:14](=[O:15])[NH:16][CH2:17][CH2:18][CH3:19])[c:20]3[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]3)[CH2:12]2)[c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[cH:6][cH:7]1.[Cl:61][c:62]1[cH:63][cH:64][c:65]([CH:66]([c:67]2[cH:68][cH:69][c:70]([Cl:71])[cH:72][cH:73]2)[N:74]2[CH2:75][CH:76]([CH:77]([c:78]3[cH:79][c:80]([F:81])[cH:82][c:83]([F:84])[cH:85]3)[C:86]([OH:87])=[O:88])[CH2:89]2)[cH:90][cH:91]1.[Cl:97][CH2:98][Cl:99].[ClH:37].[ClH:60].[O:92]1[CH2:93][CH2:94][CH2:95][CH2:96]1.[OH2:49].[OH:50][c:51]1[c:52]2[n:53][n:54][nH:55][c:56]2[cH:57][cH:58][cH:59]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH:13]([C:14](=[O:15])[NH:16][CH3:17])[c:20]3[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]3)[CH2:12]2)[c:28]2[cH:29][cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6329MethylamineHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 22506657(RS)-2-{1-[Bis(4-chlorophenyl)methyl]-azetidin-3-yl}-2-(3,5-difluorophenyl)-N-propylacetamideHCID 225067022-[1-[Bis(4-chlorophenyl)methyl]azetidin-3-yl]-2-(3,5-difluorophenyl)acetic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 22506786(RS)-2-{1-(bis(4-chlorophenyl)methyl]azetidin-3-yl}-2-(3,5-difluorophenyl)-N-methylacetamide

Sources & evidence

ORD record
ord-8c676ee1d1034aefbec14662d33c2d53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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