Hydrochloric Acid → 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-ethanone

HRID 1120458Notes

Reaction equation

HRID 1120458 reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:1][c:2]1[n:3][n:4]([CH2:8][C:9](=[O:10])[OH:11])[c:5]([Cl:7])[n:6]1.[Cl:48][CH2:49][Cl:50].[ClH:12].[F:13][c:14]1[c:15]([CH:21]2[CH2:22][C:23]([c:26]3[n:27][c:28]([CH:31]4[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]4)[s:29][cH:30]3)=[N:24][O:25]2)[c:16]([F:20])[cH:17][cH:18][cH:19]1.[S:44]([Cl:45])([Cl:46])=[O:47]>>[Cl:1][c:2]1[n:3][n:4]([CH2:8][C:9](=[O:11])[N:34]2[CH2:33][CH2:32][CH:31]([c:28]3[n:27][c:26]([C:23]4=[N:24][O:25][CH:21]([c:15]5[c:14]([F:13])[cH:19][cH:18][cH:17][c:16]5[F:20])[CH2:22]4)[cH:30][s:29]3)[CH2:36][CH2:35]2)[c:5]([Cl:7])[n:6]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 666185904‐{4‐[5‐(2,6‐Difluorophenyl)‐4,5‐dihydro‐1,2‐ oxazol‐3‐yl]‐1,3‐thiazol‐2‐yl}piperidineHCID 687435873,5-dichloro-1H-1,2,4-triazole-1-acetic acid

Product 1

HCID 687436602-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]-1-piperidinyl]-ethanone

Sources & evidence

ORD record
ord-89f755dc55a7485a80e6ab93f817f795
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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