Formic Acid → HCID 10460720, compound

HRID 2331509Notes

Reaction equation

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][c:12]1[cH:13][n:14][c:15](-[c:33]2[cH:34][cH:35][c:36]([N+:39]([O-:40])=[O:41])[cH:37][cH:38]2)[n:16]([CH2:19][C:20](=[O:21])[NH:22][CH:23]([C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[CH:30]([CH3:31])[CH3:32])[c:17]1=[O:18].[CH3:42][OH:43].[CH:44]([OH:45])=[O:46].[Fe:47]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][c:12]1[cH:13][n:14][c:15](-[c:33]2[cH:34][cH:35][c:36]([NH:39][CH:42]=[O:43])[cH:37][cH:38]2)[n:16]([CH2:19][C:20](=[O:21])[NH:22][CH:23]([C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[CH:30]([CH3:31])[CH3:32])[c:17]1=[O:18]

Participants

Reactant 4

HCID 284Formic Acid

HCID 887Methanol

HCID 23925Iron

HCID 10415744{2-(4-Nitro-phenyl)-6-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-carbamic acid benzyl ester

Product 1

HCID 10460720HCID 10460720, compound

Sources & evidence

ORD record: ord-b047dbcc0f4e44b1b59b74e89edc8b7f
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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