Hydrochloric Acid → 5-Acetyl-2-(4-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)butyryl)-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine

HRID 1146780Notes

Reaction equation

HRID 1146780 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([s:10][c:11]([C:13]([CH2:14][CH2:15][CH2:16][Cl:17])=[O:18])[cH:12]2)[CH2:8][CH2:9]1.[C:36]([OH:37])(=[O:38])[C:39]([OH:40])=[O:41].[ClH:19].[F:20][c:21]1[cH:22][c:23]2[c:24]([c:25]([CH:28]3[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]3)[n:26][o:27]2)[cH:34][cH:35]1.[s:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[c:49]([N:50]2[CH2:51][CH2:52][N:53]([CH2:54][CH2:55][CH2:56][C:57]([c:58]3[s:59][c:60]4[c:67]([cH:68]3)[C:65](=[O:66])[NH:64][CH2:63][CH2:62][S:61]4)=[O:69])[CH2:70][CH2:71]2)[n:72]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][c:6]2[c:7]([s:10][c:11]([C:13]([CH2:14][CH2:15][CH2:16][N:31]3[CH2:30][CH2:29][CH:28]([c:25]4[c:24]5[c:23]([cH:22][c:21]([F:20])[cH:35][cH:34]5)[o:27][n:26]4)[CH2:33][CH2:32]3)=[O:18])[cH:12]2)[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 971Oxalic AcidHCID 8494213-(4-Piperidyl)-6-fluoro-1,2-benzisoxazoleHCID 214718635-Acetyl-2-(4-chlorobutyryl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridineHCID 538069697-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]-3,4-dihydro-2H-thieno[3,2-f][1,4]thiazepin-5-one

Product 1

HCID 214718595-Acetyl-2-(4-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)butyryl)-4,5,6,7-tetrahydro-thieno[3,2-c]pyridine

Sources & evidence

ORD record
ord-af852d69e6944592a5dce8b3497fcb60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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