Hydrochloric Acid → 2-(trans-4-{[4-(ethylthio)-1H-indazol-5-yl]oxy}cyclohexyl)-1H-isoindole-1,3(2H)-dione

HRID 2158679Notes

Reaction equation

HRID 2158679 reaction equation
[CH2:39]([CH3:40])[S:41][c:42]1[c:43]2[cH:44][n:45][nH:46][c:47]2[cH:48][cH:49][c:50]1[OH:51].[ClH:19].[NH:20]1[CH2:21][CH2:22][CH2:23][CH:24]([O:25][c:26]2[c:27]([S:28][CH3:29])[c:30]3[c:31]([cH:32][cH:33]2)[nH:34][n:35][cH:36]3)[CH2:37][CH2:38]1.[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([N:8]2[C:9](=[O:18])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[C:16]2=[O:17])[CH2:6][CH2:7]1>>[O:1]([CH:2]1[CH2:3][CH2:4][CH:5]([N:8]2[C:9](=[O:18])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[C:16]2=[O:17])[CH2:6][CH2:7]1)[c:50]1[c:42]([S:41][CH2:39][CH3:40])[c:43]2[cH:44][n:45][nH:46][c:47]2[cH:48][cH:49]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 288726trans-2-(4-Hydroxycyclohexyl)-isoindole-1,3-dioneHCID 229335675-(azepan-4-yloxy)-4-methylsulfanyl-1H-indazoleHCID 229339034-(ethylthio)-1H-indazol-5-ol

Product 1

HCID 229335082-(trans-4-{[4-(ethylthio)-1H-indazol-5-yl]oxy}cyclohexyl)-1H-isoindole-1,3(2H)-dione

Sources & evidence

ORD record
ord-99d44839654d40ba85b238f4415ffdcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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