Water → (4-hydroxy-piperidin-1-yl)-(4-{4-[7-(3-methanesulfonyl-propoxy)-1H-indazol-3-yl]-pyrimidin-2-ylamino}-cyclohexyl)-methanone

HRID 93136Notes

Reaction equation

HRID 93136 reaction equation
[CH3:26][N:27]1[CH2:28][CH2:29][CH2:30][C:31]1=[O:32].[CH3:33][S:34](=[O:35])(=[O:36])[CH2:37][CH2:38][CH2:39][O:40][c:41]1[cH:42][cH:43][cH:44][c:45]2[c:46](-[c:50]3[n:51][c:52]([S:56]([CH3:57])=[O:58])[n:53][cH:54][cH:55]3)[n:47][nH:48][c:49]12.[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([OH:16])[CH2:14][CH2:15]2)[CH2:6][CH2:7]1.[OH2:59]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([OH:16])[CH2:14][CH2:15]2)[CH2:6][CH2:7]1)[c:52]1[n:51][c:50](-[c:46]2[c:45]3[cH:44][cH:43][cH:42][c:41]([O:40][CH2:39][CH2:38][CH2:37][S:34]([CH3:33])(=[O:35])=[O:36])[c:49]3[nH:48][n:47]2)[cH:55][cH:54][n:53]1

Participants

6

Reactant 5

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 20754665(4-Amino-cyclohexyl)-(4-hydroxy-piperidin-1-yl)-methanoneHCID 693086167-(3-methanesulfonyl-propoxy)-3-(2-methanesulfinyl-pyrimidin-4-yl)-1H-indazole

Product 1

HCID 59743603(4-hydroxy-piperidin-1-yl)-(4-{4-[7-(3-methanesulfonyl-propoxy)-1H-indazol-3-yl]-pyrimidin-2-ylamino}-cyclohexyl)-methanone

Sources & evidence

ORD record
ord-fd5843118d814c23a32386d689e27a95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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