Acetate → HCID 69014904, compound

HRID 1128307Notes

Reaction equation

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

Participants

Reactant 3

HCID 175Acetate

HCID 923Sodium ion

HCID 9983584[4-Amino-2-[1-(3-chloro-propane-1-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone

Product 1

HCID 69014904HCID 69014904, compound

Sources & evidence

ORD record: ord-93522b28377a47b58808f4445822e0b4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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