Chloride → HCID 18613522, compound

HRID 2340900Notes

Reaction equation

HRID 2340900 reaction equation
[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43]1.[Cl-:38].[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:20][c:19]3[c:18]([cH:24][c:23]([C:25]#[N:26])[c:22]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:21]3)[NH:17][C:16](=[O:33])[CH2:15]2)[cH:11][cH:12][cH:13]1.[S:34]([Cl:35])([Cl:36])=[O:37]>>[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:20][c:19]3[c:18]([cH:24][c:23]([C:25]#[N:26])[c:22]([N:27]([CH3:28])[CH2:29][CH:30]([CH3:31])[CH3:32])[cH:21]3)[NH:17][C:16](=[O:33])[CH2:15]2)[cH:11][cH:12][cH:13]1)[N:42]1[CH2:41][CH2:40][CH2:39][CH2:43]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 31268PyrrolidineHCID 18613128HCID 18613128, compound

Product 1

HCID 18613522HCID 18613522, compound

Sources & evidence

ORD record
ord-c112be03069149e7819e18a0a46552a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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