Sodium ion → HCID 57525653, compound

HRID 191244Notes

Reaction equation

HRID 191244 reaction equation
[C:51]([O:52][CH2:53][CH3:54])(=[O:55])[CH3:56].[CH2:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([C:10]([CH2:11][n:12]2[c:13](=[O:14])[n:15]([CH3:41])[c:16]3[n:17][c:18]([N:27]4[CH2:28][CH:29]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:31][CH2:32]4)[n:19]([CH2:23][C:24]#[C:25][CH3:26])[c:20]3[c:21]2=[O:22])=[O:42])[cH:6][cH:7][cH:8][cH:9]1.[Na+:49].[Na+:50].[OH2:63].[S:43]([S:44]([O-:45])=[O:46])([O-:47])=[O:48]>>[NH2:1][c:4]1[c:5]([C:10]([CH2:11][n:12]2[c:13](=[O:14])[n:15]([CH3:41])[c:16]3[n:17][c:18]([N:27]4[CH2:28][CH:29]([NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:30][CH2:31][CH2:32]4)[n:19]([CH2:23][C:24]#[C:25][CH3:26])[c:20]3[c:21]2=[O:22])=[O:42])[cH:6][cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 1086DithioniteHCID 8078CyclohexaneHCID 8857Ethyl AcetateHCID 68690177HCID 68690177, compound

Product 1

HCID 57525653HCID 57525653, compound

Sources & evidence

ORD record
ord-30b9542acdf94d2387137018e789be87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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