Ethanol → HCID 19012373, compound

HRID 1221440Notes

Reaction equation

HRID 1221440 reaction equation
[C:36]([BH3-:37])#[N:38].[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:27]=[O:28])[c:9](=[O:26])[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1.[CH3:29][CH:30]([CH3:31])[NH2:32].[CH3:33][CH2:34][OH:35].[CH3:40][CH:41]([CH3:42])[O-:43].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:48][CH:49]([CH3:50])[O-:51].[CH3:52][CH:53]([CH3:54])[O-:55].[Na+:39].[OH2:57].[Ti+4:56]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:27][NH:32][CH:30]([CH3:29])[CH3:31])[c:9](=[O:26])[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[c:19]([C:24]#[N:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:16][cH:17]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 6363IsopropylamineHCID 114942Titanium cation (4+)HCID 498716Cyano-borohydrideHCID 3260420Isopropanolate4×HCID 19012335HCID 19012335, compound

Product 1

HCID 19012373HCID 19012373, compound

Sources & evidence

ORD record
ord-cdd5f5c1863643858baea9496aa024ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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