Hydrochloric Acid → Hydrochloric Acid

HRID 1222536Notes

Reaction equation

HRID 1222536 reaction equation
[CH3:2][c:3]1[n:4][c:5]([NH:8][c:9]2[c:10]([S:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:11][c:12]([CH:15]([OH:16])[CH:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:13][n:14]2)[s:6][cH:7]1.[CH3:31][c:32]1[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[ClH:1].[ClH:42].[OH2:30]>>[CH3:2][c:3]1[n:4][c:5]([NH:8][c:9]2[c:10]([S:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:11][c:12]([CH:15]=[C:17]3[CH2:18][CH2:19][O:20][CH2:21][CH2:22]3)[cH:13][n:14]2)[s:6][cH:7]1.[ClH:1]

Participants

7

Reactant 5

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 86631491[6-[(4-Methyl-1,3-thiazol-2-yl)amino]-5-phenylsulfanyl-3-pyridinyl]-(oxan-4-yl)methanol

Product 2

HCID 313Hydrochloric AcidHCID 866314934-methyl-N-[5-(oxan-4-ylidenemethyl)-3-phenylsulfanyl-2-pyridinyl]-1,3-thiazol-2-amine

Sources & evidence

ORD record
ord-ebe557e2a9bf4d47990ec12cc28e879f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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