Hydrochloric Acid → 4-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine-3-carbonitrile

HRID 1231541Notes

Reaction equation

HRID 1231541 reaction equation
[CH3:46][CH:47]([OH:48])[CH3:49].[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[c:18]3[c:19]([n:20][cH:21][c:22]2[C:23]#[N:24])[s:25][c:26]2[c:31]3[CH2:30][CH2:29][N:28]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:27]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1.[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:16][c:17]2[c:18]3[c:19]([n:20][cH:21][c:22]2[C:23]#[N:24])[s:25][c:26]2[c:31]3[CH2:30][CH2:29][NH:28][CH2:27]2)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[n:11][cH:12][cH:13][cH:14][cH:15]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 312751,4-DioxaneHCID 58116804tert-Butyl 4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-5,8-dihydrothieno[2,3-b:5,4-c']dipyridine-7(6H)-carboxylate

Product 1

HCID 581168904-{[3-Chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-5,6,7,8-tetrahydrothieno[2,3-b:5,4-c']dipyridine-3-carbonitrile

Sources & evidence

ORD record
ord-5dc5b32cf21f4a5687fc77d968cd6d38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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