Sodium ion → HCID 178428242, compound

HRID 206405Notes

Reaction equation

HRID 206405 reaction equation
[C:66](=[O:67])([O-:68])[O-:69].[CH2:72]1[O:73][CH2:74][CH2:75][O:76][CH2:77]1.[CH3:17][c:18]1[cH:19][c:20]([NH2:23])[n:21][nH:22]1.[CH3:24][C:25]1([CH3:26])[c:27]2[cH:28][cH:29][cH:30][c:31]([P:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]2[O:46][c:47]2[c:48]1[cH:49][cH:50][cH:51][c:52]2[P:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[Cl:1][c:2]1[n:3][c:4]([Cl:16])[cH:5][c:6]([N:8]2[CH2:9][C:10]([F:12])([CH:13]3[CH2:14][CH2:15]3)[CH2:11]2)[cH:7]1.[Na+:70].[Na+:71]>>[c:2]1([NH:23][c:20]2[cH:19][c:18]([CH3:17])[n:22][nH:21]2)[n:3][c:4]([Cl:16])[cH:5][c:6]([N:8]2[CH2:9][C:10]([F:12])([CH:13]3[CH2:14][CH2:15]3)[CH2:11]2)[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 931461H-Pyrazol-3-amine, 5-methyl-HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 59617901HCID 59617901, compound

Product 1

HCID 178428242HCID 178428242, compound

Sources & evidence

ORD record
ord-bab6d5e9cc564ecda95f9689b30ca9b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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