Sodium ion → HCID 178485672, compound

HRID 1212677Notes

Reaction equation

HRID 1212677 reaction equation
[CH3:37][C:38]([CH3:39])([CH3:40])[Si:41]([O:42][CH2:43][CH:44]1[NH:45][CH2:46][CH:47]2[CH2:48][O:49][CH2:50][CH2:51][N:52]2[CH2:53]1)([CH3:54])[CH3:55].[CH3:56][C:57]([CH3:58])([O-:59])[CH3:60].[CH3:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[CH3:97][CH2:98][O:99][C:100]([CH3:101])=[O:102].[CH:62]1([P:63]([CH:64]2[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][c:75]2-[c:76]2[cH:77][cH:78][cH:79][cH:80][c:81]2[N:82]([CH3:83])[CH3:84])[CH2:85][CH2:86][CH2:87][CH2:88][CH2:89]1.[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:32])[cH:22][c:23]2-[c:24]2[c:25]([Cl:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[Na+:61]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:45]3[CH:44]([CH2:43][O:42][Si:41]([C:38]([CH3:37])([CH3:39])[CH3:40])([CH3:54])[CH3:55])[CH2:53][N:52]4[CH:47]([CH2:46]3)[CH2:48][O:49][CH2:50][CH2:51]4)[cH:22][c:23]2-[c:24]2[c:25]([Cl:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]

Participants

8

Reactant 7

HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 27342172-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenylHCID 45749132-Methylpropan-2-olateHCID 592158082-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(2-chloro-4-fluorophenyl)-3-pyridinyl]-N,2-dimethylpropanamideHCID 725331491,3,4,6,7,8,9,9a-Octahydropyrazino[2,1-c][1,4]oxazin-7-ylmethoxy-tert-butyl-dimethylsilane

Product 1

HCID 178485672HCID 178485672, compound

Sources & evidence

ORD record
ord-6852442e0fe1480687e00a749f38dfbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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