Formic Acid → 4-{3-[1-(2,6-Dichloro-3-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-3,6-dihydro-2H-pyridine-1-carbaldehyde

HRID 102191Notes

Reaction equation

HRID 102191 reaction equation
[B-:30]([F:31])([F:32])([F:33])[F:34].[CH:27](=[O:28])[OH:29].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[c:12]2[cH:13][nH:14][c:15]3[n:16][cH:17][c:18]([C:21]4=[CH:26][CH2:25][NH:24][CH2:23][CH2:22]4)[cH:19][c:20]23)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8].[Cl:61][CH2:62][Cl:63].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[c:12]2[cH:13][nH:14][c:15]3[n:16][cH:17][c:18]([C:21]4=[CH:26][CH2:25][N:24]([CH:27]=[O:28])[CH2:23][CH2:22]4)[cH:19][c:20]23)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8]

Participants

7

Reactant 6

HCID 284Formic AcidHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 673640813-[1-(2,6-Dichloro-3-fluorophenyl)-ethyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 866574924-{3-[1-(2,6-Dichloro-3-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-3,6-dihydro-2H-pyridine-1-carbaldehyde

Sources & evidence

ORD record
ord-140d9c5259fa468ba6beb369fe250534
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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