Calcium Cation → HCID 57460929, compound

HRID 2316058Notes

Reaction equation

HRID 2316058 reaction equation
[BH4-:1].[CH2:6]([CH2:7][CH2:8][CH3:9])[c:10]1[n:11][c:12]([CH3:47])[n:13](-[c:32]2[cH:33][cH:34][c:35]([O:36][C:37]([C:38](=[O:39])[O:40][CH2:41][CH3:42])([CH3:43])[CH3:44])[cH:45][cH:46]2)[c:14](=[O:31])[c:15]1[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]2)[cH:21][cH:22]1.[CH3:53][CH2:54][OH:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Ca+2:5].[Cl-:3].[Cl-:4].[Na+:2].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH2:6]([CH2:7][CH2:8][CH3:9])[c:10]1[n:11][c:12]([CH3:47])[n:13](-[c:32]2[cH:33][cH:34][c:35]([O:36][C:37]([CH2:38][OH:39])([CH3:43])[CH3:44])[cH:45][cH:46]2)[c:14](=[O:31])[c:15]1[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([C:29]#[N:30])[cH:25][cH:26][cH:27][cH:28]2)[cH:21][cH:22]1

Participants

9

Reactant 8

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 57460927HCID 57460927, compound

Product 1

HCID 57460929HCID 57460929, compound

Sources & evidence

ORD record
ord-fdd2706c7df941de93414881b3c9f4c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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