Ammonium → 2-(4-{2-[2-(2,2,2-Trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl}-pyrazol-1-yl)-acetamide

HRID 167942Notes

Reaction equation

HRID 167942 reaction equation
[CH3:57][N+:58]([CH3:59])=[C:60]([N:61]([CH3:62])[CH3:63])[O:64][n:65]1[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1.[CH:39]([N:42]([CH2:40][CH3:41])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl-:48].[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([CH2:28][C:29](=[O:30])[OH:31])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2)([F:32])[F:33].[NH4+:49].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56]>>[F:1][C:2]([CH2:3][n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([CH2:28][C:29](=[O:30])[NH2:42])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2)([F:32])[F:33]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67061748(4-{2-[2-(2,2,2-Trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl}-pyrazol-1-yl)-acetic acid

Product 1

HCID 670617272-(4-{2-[2-(2,2,2-Trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-8-yl}-pyrazol-1-yl)-acetamide

Sources & evidence

ORD record
ord-138755a1222b4527b7b879efe1b8b917
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…