Calcium Cation → HCID 69492381, compound

HRID 684021Notes

Reaction equation

HRID 684021 reaction equation
[BH4-:4].[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH:16]([CH2:19][CH:20]([C:21](=[O:22])[O:23][CH3:24])[CH2:25][CH:26]2[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]2)[CH2:17][CH2:18]1.[CH2:39]([OH:40])[CH3:41].[Ca+2:3].[Cl-:1].[Cl-:2].[Na+:5].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[C:6]([CH3:7])([CH3:8])([CH3:9])[O:10][C:11](=[O:12])[N:13]1[CH2:14][CH2:15][CH:16]([CH2:19][CH:20]([CH2:21][OH:22])[CH2:25][CH:26]2[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]2)[CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 18770408HCID 18770408, compound

Product 1

HCID 69492381HCID 69492381, compound

Sources & evidence

ORD record
ord-0ec37b7ed84b4706905d9621385c0bd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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