Chloride → HCID 58777598, compound

HRID 1570026Notes

Reaction equation

HRID 1570026 reaction equation
[CH2:35]1[CH2:36][O:37][CH2:38][CH2:39][NH:40]1.[Cl-:49].[I-:34].[K+:33].[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH2:29][CH2:30][CH2:31][Cl:32])[CH2:24][CH2:25]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1.[Na+:48].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:47]>>[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][N:23]([S:26](=[O:27])(=[O:28])[CH2:29][CH2:30][CH2:31][N:40]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[CH2:24][CH2:25]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 813Potassium CationHCID 923Sodium ionHCID 962WaterHCID 8083MorpholineHCID 30165Iodide IonHCID 312751,4-DioxaneHCID 10458099[4-Amino-2-[1-(3-chloro-propane-1-sulfonyl)-piperidin-4-ylamino]-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

Product 1

HCID 58777598HCID 58777598, compound

Sources & evidence

ORD record
ord-1590f1e912a549a2bde66af4fcb38571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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