Ethyl Acetate → HCID 57761684, compound

Reaction equation

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

Participants

Reactant 2

HCID 8857Ethyl Acetate

HCID 114971584-(3-Chloro-4-fluoro-phenyl)-6-[4-(3-methyl-5-nitro-pyridin-2-yl)-piperazin-1-yl]-2-(2-methyl-pyrrolidin-1-yl)-pyrimidine

Product 1

HCID 57761684HCID 57761684, compound

Sources & evidence

ORD record: ord-3b57d7ffa4114feb94e8f1e51d838dbf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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