Chloride → HCID 58086051, compound

HRID 173141Notes

Reaction equation

HRID 173141 reaction equation
[Al+3:4].[Br:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][nH:11][c:12]2[n:13][cH:14]1.[CH2:15]([CH2:16][CH2:17][CH3:18])[NH:19][C:20]([NH:21][c:22]1[cH:23][cH:24][c:25]([F:31])[c:26]([C:27](=[O:28])[OH:29])[cH:30]1)=[O:32].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl-:1].[Cl-:2].[Cl-:3].[Cl:37][CH2:38][Cl:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[S:33]([Cl:34])([Cl:35])=[O:36]>>[Br:5][c:6]1[cH:7][c:8]2[c:9]([C:27]([c:26]3[c:25]([F:31])[cH:24][cH:23][c:22]([NH:21][C:20]([NH:19][CH2:15][CH2:16][CH2:17][CH3:18])=[O:32])[cH:30]3)=[O:28])[cH:10][nH:11][c:12]2[n:13][cH:14]1

Participants

9

Reactant 8

HCID 312Chloride3×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 104727Aluminum CationHCID 103079325-bromo-1H-pyrrolo[2,3-b]pyridineHCID 58086811HCID 58086811, compound

Product 1

HCID 58086051HCID 58086051, compound

Sources & evidence

ORD record
ord-49b7d2a3f2444015b7476f00741562d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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