1-Methylpiperazine → HCID 57900357, compound

HRID 695501Notes

Reaction equation

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

Participants

Reactant 2

HCID 531671-Methylpiperazine

HCID 668861572-[4-(2,4-difluoro-phenyl)-4H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-benzo[e]azulene-9-carboxylic acid

Product 1

HCID 57900357HCID 57900357, compound

Sources & evidence

ORD record: ord-4aca9aefd11e47c5a197c9e1ca60e5cf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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