Dichloromethane → 1-(4-Amino-quinazolin-7-ylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one

HRID 159432Notes

Reaction equation

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

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 538741592-[4-(4-Amino-quinazolin-7-ylmethyl)-3-oxo-piperazin-1-ylmethyl]-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester

Product 1

HCID 539048461-(4-Amino-quinazolin-7-ylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one

Sources & evidence

ORD record: ord-d47d5d3c56454d328d3c1528a37c9f60
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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