Calcium Cation → HCID 57460879, compound

HRID 663115Notes

Reaction equation

HRID 663115 reaction equation
[BH4-:1].[C:6](#[N:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][c:21]3[c:22]([CH2:48][CH2:49][CH3:50])[n:23][c:24]([CH2:46][CH3:47])[n:25](-[c:28]4[cH:29][cH:30][c:31]([O:32][CH:33]5[CH2:34][CH2:35][CH:36]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH2:37][CH2:38]5)[cH:44][cH:45]4)[c:26]3=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH3:51][CH2:52][OH:53].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Ca+2:5].[Cl-:3].[Cl-:4].[ClH:65].[Na+:2].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[C:6](#[N:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][c:21]3[c:22]([CH2:48][CH2:49][CH3:50])[n:23][c:24]([CH2:46][CH3:47])[n:25](-[c:28]4[cH:29][cH:30][c:31]([O:32][CH:33]5[CH2:34][CH2:35][CH:36]([CH2:39][OH:40])[CH2:37][CH2:38]5)[cH:44][cH:45]4)[c:26]3=[O:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1

Participants

10

Reactant 9

HCID 271Calcium CationHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 57460878HCID 57460878, compound

Product 1

HCID 57460879HCID 57460879, compound

Sources & evidence

ORD record
ord-e79cbd615dc347f4b909f625ca2bfc60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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