Sodium ion → HCID 178423523, compound

HRID 1226395Notes

Reaction equation

HRID 1226395 reaction equation
[Br:66][c:67]1[n:68][c:69]2[c:75]([n:76][cH:77]1)[NH:74][C:72](=[O:73])[C:71]1([NH:70]2)[CH2:78][CH2:79]1.[CH2:93]1[O:94][CH2:95][CH2:96][O:97][CH2:98]1.[CH3:39][c:40]1[cH:41][c:42](-[c:43]2[n:44]([CH:45]3[CH2:46][CH2:47][CH2:48][CH2:49][O:50]3)[cH:51][n:52][n:53]2)[cH:54][cH:55][c:56]1[B:57]1[O:58][C:59]([CH3:60])([CH3:61])[C:62]([CH3:63])([CH3:64])[O:65]1.[CH3:8][c:9]1[c:10](-[c:26]2[cH:27][n:28][c:29]3[c:30]([n:31]2)[NH:32][C:33]2([CH2:34][CH2:35]2)[C:36](=[O:38])[NH:37]3)[cH:11][cH:12][c:13](-[c:15]2[n:16][n:17][cH:18][n:19]2[CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][O:25]2)[cH:14]1.[CH:89]([OH:90])([CH3:91])[CH3:92].[Cl:80][CH2:81][Cl:82].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:83].[Na+:84].[O-:85][C:86](=[O:87])[O-:88]>>[CH3:8][c:9]1[c:10](-[c:26]2[cH:27][n:28][c:29]3[c:30]([n:31]2)[NH:32][C:33]2([CH2:34][CH2:35]2)[C:36](=[O:38])[NH:37]3)[cH:11][cH:12][c:13](-[c:15]2[n:16][n:17][cH:18][nH:19]2)[cH:14]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 3776IsopropanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 533752283-(3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-(tetrahydro-2H-pyran-2-yl)-4H-1,2,4-triazoleHCID 666081086-[2-Methyl-4-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]phenyl]spiro[1,4-dihydropyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-oneHCID 866446477'-bromo-1'H-spiro[cyclopropane-1,2'-pyrazino[2,3-b]pyrazin]-3'(4'H)-one

Product 1

HCID 178423523HCID 178423523, compound

Sources & evidence

ORD record
ord-243fba91e93544378cda4da1980c27b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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