Ethanol → HCID 10273545, compound

HRID 1145360Notes

Reaction equation

HRID 1145360 reaction equation
[C:31]([BH3-:32])#[N:33].[CH3:36][CH2:37][OH:38].[CH3:39][CH:40]([CH3:41])[O-:42].[CH3:44][CH:45]([CH3:46])[O-:47].[CH3:48][CH:49]([CH3:50])[O-:51].[CH3:52][CH:53]([CH3:54])[O-:55].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([CH:22]=[O:23])[cH:20][cH:21]1.[NH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][OH:30].[Na+:34].[OH2:35].[Ti+4:43]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][C:8]23[CH2:9][CH:10]4[CH2:11][CH:12]([CH2:13][CH:14]([CH2:15]2)[CH2:16]4)[CH2:17]3)[cH:18][c:19]([CH2:31][NH:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][OH:30])[cH:20][cH:21]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 756345-Aminopentan-1-olHCID 114942Titanium cation (4+)HCID 498716Cyano-borohydrideHCID 3260420Isopropanolate4×HCID 120853462-Chloro-5-formyl-N-(tricyclo [3.3.1.13,7]dec-1-ylmethyl)-benzamide

Product 1

HCID 10273545HCID 10273545, compound

Sources & evidence

ORD record
ord-ee25e9a57c18452198330b16b810ee1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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