HCID 12048026, compound → HCID 86586985, compound

HRID 106038Notes

Reaction equation

HRID 106038 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25].[CH2:26]([O:28][C:29](=[O:27])[CH2:30][C:31]([c:32]1[cH:33][c:34](-[n:38]2[cH:39][n:40][n:41][cH:42]2)[cH:35][cH:36][cH:37]1)=[O:43])[CH3:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:29](=[O:28])[CH2:30][C:31]([c:32]2[cH:33][c:34](-[n:38]3[cH:39][n:40][n:41][cH:42]3)[cH:35][cH:36][cH:37]2)=[O:43])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:13]1)=[O:25]

Participants

3

Reactant 2

HCID 12048026HCID 12048026, compoundHCID 695928753-Oxo-3-(3-[1,2,4]triazol-4-yl-phenyl)-propionic acid ethyl ester

Product 1

HCID 86586985HCID 86586985, compound

Sources & evidence

ORD record
ord-4a156e582f404c1fb9730b79bf048cd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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