Dichloromethane → N-[1-[4-cyano-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazol-2-yl]azetidin-3-yl]methanesulfonamide

HRID 156462Notes

Reaction equation

HRID 156462 reaction equation
[C:8](#[N:9])[c:10]1[c:11]([CH3:45])[c:12](-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:13]([N:31]2[CH2:32][CH:33]([N:36]([CH3:37])[CH3:38])[CH2:34][CH2:35]2)[c:14]2[c:15]1[n:16][c:17]([N:19]1[CH2:20][CH:21]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:22]1)[o:18]2.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][S:54]([Cl:55])(=[O:56])=[O:57].[Cl:58][CH2:59][Cl:60].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[C:8](#[N:9])[c:10]1[c:11]([CH3:45])[c:12](-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:13]([N:31]2[CH2:32][CH:33]([N:36]([CH3:37])[CH3:38])[CH2:34][CH2:35]2)[c:14]2[c:15]1[n:16][c:17]([N:19]1[CH2:20][CH:21]([NH:23][S:54]([CH3:53])(=[O:56])=[O:57])[CH2:22]1)[o:18]2

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 91299498HCID 91299498, compound

Product 1

HCID 77526414N-[1-[4-cyano-7-[3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazol-2-yl]azetidin-3-yl]methanesulfonamide

Sources & evidence

ORD record
ord-3806dc6b7967445bbfc8f08dd485f2c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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