Hydrochloric Acid → HCID 178428074, compound

HRID 2339748Notes

Reaction equation

HRID 2339748 reaction equation
[CH3:44][C:45]#[N:46].[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH:14]([C:29](=[O:30])[NH:31][C:32]3([C:35]#[N:36])[CH2:33][CH2:34]3)[N:15]([c:17]3[cH:18][c:19]([CH3:28])[n:20][n:21]3[CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[CH2:16]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[ClH:37].[F:38][C:39]1([F:43])[CH2:40][NH:41][CH2:42]1>>[Cl:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[CH:12]2[CH2:13][CH:14]([C:29](=[O:30])[NH:31][C:32]3([C:35]#[N:36])[CH2:33][CH2:34]3)[N:15]([c:17]3[cH:18][c:19]([CH3:28])[n:20][n:21]3[CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[CH2:16]2)[cH:4][cH:5][c:6]([N:41]2[CH2:40][C:39]([F:38])([F:43])[CH2:42]2)[cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 27582483,3-DifluoroazetidineHCID 72322115HCID 72322115, compound

Product 1

HCID 178428074HCID 178428074, compound

Sources & evidence

ORD record
ord-561bb0a8481d41aabcac00dde9d415d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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