HCID 77217967, compound → HCID 178456680, compound

HRID 1215176Notes

Reaction equation

HRID 1215176 reaction equation
[C:24]([O:25][C:26](=[O:27])[N:31]1[CH:32]([C:38]([NH2:39])=[O:40])[CH2:33][CH:34]([C:36]#[N:37])[CH2:35]1)([CH3:28])([CH3:29])[CH3:30].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([OH:23])[n:20][cH:19]1)[O:14][CH2:13][CH2:12]2>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([N:31]3[CH:32]([C:38]([NH2:39])=[O:40])[CH2:33][CH:34]([C:36]#[N:37])[CH2:35]3)[n:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

3

Reactant 2

HCID 77217967HCID 77217967, compoundHCID 1360309132-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a,9-triaza-benzo[e]azulen-8-ol

Product 1

HCID 178456680HCID 178456680, compound

Sources & evidence

ORD record
ord-d9bb25d71c2e4ee3b160762298087115
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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