Hydrochloric Acid → Hydrochloric Acid

HRID 2154322Notes

Reaction equation

HRID 2154322 reaction equation
[Br:1][c:2]1[c:3]([O:4][c:5]2[c:6]([NH:20][c:21]3[s:22][cH:23][c:24]([CH:26]4[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]4)[n:25]3)[n:7][cH:8][c:9]([S:11][c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]3)[cH:10]2)[cH:32][cH:33][c:34]([F:36])[cH:35]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][C:45](=[O:46])[O:47][C:48]([CH3:49])=[O:50].[Cl:52][CH2:53][Cl:54].[ClH:51]>>[Br:1][c:2]1[c:3]([O:4][c:5]2[c:6]([NH:20][c:21]3[s:22][cH:23][c:24]([CH:26]4[CH2:27][CH2:28][N:29]([C:45]([CH3:44])=[O:46])[CH2:30][CH2:31]4)[n:25]3)[n:7][cH:8][c:9]([S:11][c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]3)[cH:10]2)[cH:32][cH:33][c:34]([F:36])[cH:35]1.[ClH:51]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 8471TriethylamineHCID 577426883-(2-bromo-4-fluorophenoxy)-5-(3-methoxyphenylthio)-N-(4-(piperidin-4-yl)thiazol-2-yl)pyridin-2-amine

Product 2

HCID 313Hydrochloric AcidHCID 250997701-[4-[2-[[3-(2-Bromo-4-fluorophenoxy)-5-(3-methoxyphenyl)sulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone

Sources & evidence

ORD record
ord-ed545c74638543b8acd2a40af084d1f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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