Chloride → HCID 69689087, compound

HRID 282822Notes

Reaction equation

HRID 282822 reaction equation
[CH:40]1([NH2:43])[CH2:41][CH2:42]1.[Cl-:39].[Cl:44][CH2:45][Cl:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH:1][CH2:2][c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[c:24]([N:26]([CH3:27])[CH:28]([CH3:29])[CH3:30])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1.[S:35]([Cl:36])([Cl:37])=[O:38]>>[CH2:2]([c:3]1[cH:4][n:5][n:6][n:7]1-[c:8]1[cH:9][c:10]([C:14]2=[N:15][c:16]3[c:17]([cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[c:24]([N:26]([CH3:27])[CH:28]([CH3:29])[CH3:30])[cH:25]3)[NH:18][C:19](=[O:21])[CH2:20]2)[cH:11][cH:12][cH:13]1)[NH:43][CH:40]1[CH2:41][CH2:42]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 69828CyclopropylamineHCID 69687839HCID 69687839, compound

Product 1

HCID 69689087HCID 69689087, compound

Sources & evidence

ORD record
ord-01f71dd4373b4d9fb3821916bde290c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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