Bicarbonate Ion → HCID 23112163, compound

HRID 1116212Notes

Reaction equation

HRID 1116212 reaction equation
[BH4-:37].[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH:30]1[CH2:31][CH2:32][C:33](=[O:36])[CH2:34][CH2:35]1.[CH3:47][CH:48]([CH3:49])[O-:50].[CH3:51][CH:52]([CH3:53])[O-:54].[CH3:55][CH:56]([CH3:57])[O-:58].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:70][OH:71].[Cl:44][CH2:45][Cl:46].[NH2:1][c:2]1[c:3]2[c:4]([CH:13]=[CH2:14])[cH:5][n:6][c:7]([Cl:12])[c:8]2[cH:9][cH:10][cH:11]1.[Na+:38].[Na+:39].[OH:40][C:41](=[O:42])[O-:43].[Ti+4:63]>>[NH:1]([c:2]1[c:3]2[c:4]([CH:13]=[CH2:14])[cH:5][n:6][c:7]([Cl:12])[c:8]2[cH:9][cH:10][cH:11]1)[CH:33]1[CH2:32][CH2:31][CH:30]([N:22]([CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:35][CH2:34]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 15342642HCID 15342642, compoundHCID 23112159HCID 23112159, compound

Product 1

HCID 23112163HCID 23112163, compound

Sources & evidence

ORD record
ord-011aa16e9d7145e38a9562f96b3c338e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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