Ammonium → (+/-)-3-(2,4-Dichloro-phenyl)-2,6-dimethyl-7-(1-phenyl-propoxy)-pyrazolo[5,1-b]oxazole

HRID 167407

Reaction equation

HRID 167407 reaction equation
[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl-:68].[Cl:49][c:50]1[c:51](-[c:57]2[n:58]3[c:59]([o:60][c:61]2[CH3:62])[c:63]([OH:67])[c:64]([CH3:66])[n:65]3)[cH:52][cH:53][c:54]([Cl:56])[cH:55]1.[NH4+:69].[O:20]=[C:21]([O:22][CH2:23][CH3:24])[N:25]=[N:26][C:27]([O:28][CH2:29][CH3:30])=[O:31].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:39]1([CH:45]([CH2:46][CH3:47])[OH:48])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:39]1([CH:45]([CH2:46][CH3:47])[O:48][c:63]2[c:59]3[n:58]([c:57](-[c:51]4[c:50]([Cl:49])[cH:55][c:54]([Cl:56])[cH:53][cH:52]4)[c:61]([CH3:62])[o:60]3)[n:65][c:64]2[CH3:66])[cH:40][cH:41][cH:42][cH:43][cH:44]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 71471-Phenyl-1-propanolHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 591861133-(2,4-Dichloro-phenyl)-2,6-dimethyl-pyrazolo[5,1-b]oxazol-7-ol

Product 1

HCID 59186134(+/-)-3-(2,4-Dichloro-phenyl)-2,6-dimethyl-7-(1-phenyl-propoxy)-pyrazolo[5,1-b]oxazole

Sources & evidence

ORD record
ord-37d38e179e4c4b238d7a454979bc8c75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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