Formic Acid → HCID 178492378, compound

HRID 663008Notes

Reaction equation

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]([CH3:48])[cH:11][c:12]1[CH2:13][CH:14]1[C:15](=[O:47])[N:16]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:17]2[c:18]([cH:37][cH:38][cH:39][cH:40]2)[N:19]([CH2:22][C:23](=[O:24])[N:25]([c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[CH:34]([CH3:35])[CH3:36])[C:20]1=[O:21].[CH3:52][CH2:53][OH:54].[CH:49]([OH:50])=[O:51]>>[nH:8]1[n:9][c:10]([CH3:48])[cH:11][c:12]1[CH2:13][CH:14]1[C:15](=[O:47])[N:16]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:17]2[c:18]([cH:37][cH:38][cH:39][cH:40]2)[N:19]([CH2:22][C:23](=[O:24])[N:25]([c:26]2[cH:27][cH:28][c:29]([O:32][CH3:33])[cH:30][cH:31]2)[CH:34]([CH3:35])[CH3:36])[C:20]1=[O:21]

Participants

Reactant 3

HCID 284Formic Acid

HCID 702Ethanol

HCID 867536032-[3-(2-Benzyl-5-methyl-2H-pyrazol-3ylmethyl)-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b][1,4]diazepin-1-yl]-N-isopropyl-N-(4-methoxy-phenyl)-acetamide

Product 1

HCID 178492378HCID 178492378, compound

Sources & evidence

ORD record: ord-3613c03c73334843a477ac83f3c2e6f8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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