Sodium ion → HCID 68515979, compound

HRID 97219Notes

Reaction equation

HRID 97219 reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH2:25]1[CH2:26][O:27][CH2:28][CH2:29][NH:30]1.[CH2:45]([Cl:46])[Cl:47].[CH2:48]([Cl:49])[Cl:50].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:57][CH:58]([CH3:59])[O-:60].[CH3:61][CH:62]([CH3:63])[O-:64].[CH3:65][CH:66]([CH3:67])[O-:68].[CH:1](=[O:2])[c:3]1[cH:4][c:5]2[c:6](=[O:24])[n:7](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][c:22]3[CH3:23])[cH:8][n:9][c:10]2[cH:11][cH:12]1.[Na+:44].[OH2:51].[Ti+4:56]>>[CH2:1]([c:3]1[cH:4][c:5]2[c:6](=[O:24])[n:7](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][c:22]3[CH3:23])[cH:8][n:9][c:10]2[cH:11][cH:12]1)[N:30]1[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 6344Dichloromethane2×HCID 8083MorpholineHCID 114942Titanium cation (4+)HCID 2724942TriacetoxyborohydrideHCID 3260420Isopropanolate4×HCID 86630235HCID 86630235, compound

Product 1

HCID 68515979HCID 68515979, compound

Sources & evidence

ORD record
ord-820f910796a44a2fb71630c40c2912ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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