Hydrochloric Acid → 1-(4-methoxy-7-(pyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl)ethane-1,2-dione

HRID 687286Notes

Reaction equation

HRID 687286 reaction equation
[B-:41]([F:42])([F:43])([F:44])[F:45].[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6](-[c:9]3[cH:10][n:11][cH:12][n:13][cH:14]3)[n:7][cH:8]1)[nH:15][cH:16][c:17]2[C:18]([C:19](=[O:20])[OH:21])=[O:22].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:77][CH2:78][Cl:79].[ClH:23].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[c:24]1(-[n:30]2[n:31][n:32][n:33][c:34]2[N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1.[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([c:6](-[c:9]3[cH:10][n:11][cH:12][n:13][cH:14]3)[n:7][cH:8]1)[nH:15][cH:16][c:17]2[C:18]([C:19](=[O:21])[N:38]1[CH2:37][CH2:36][N:35]([c:34]2[n:30](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[n:31][n:32][n:33]2)[CH2:40][CH2:39]1)=[O:22]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 38255781-(1-Phenyl-1H-tetrazol-5-YL)piperazineHCID 686909322-(4-methoxy-7-(pyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid

Product 1

HCID 595114891-(4-methoxy-7-(pyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(4-(1-phenyl-1H-tetrazol-5-yl)piperazin-1-yl)ethane-1,2-dione

Sources & evidence

ORD record
ord-4eb8d5e836e44c4f9656ed6912f18703
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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