Ethanol → HCID 178468976, compound

HRID 1553644Notes

Reaction equation

HRID 1553644 reaction equation
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:52](#[N:53])[CH2:54][CH3:55].[CH3:56][CH2:57][OH:58].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[I-:18].[N:35]1([c:41]2[cH:42][cH:43][c:44]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:50][cH:51]2)[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[OH2:59].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][S:15][CH2:14][CH2:13]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][S:15][CH2:14][CH2:13]1)[N:38]1[CH2:37][CH2:36][N:35]([c:41]2[cH:42][cH:43][c:44]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:50][cH:51]2)[CH2:40][CH2:39]1

Participants

9

Reactant 8

HCID 702EthanolHCID 962WaterHCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 2761178Ethyl 4-(piperazin-1-yl)benzoateHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 583244013-(hydroxymethyl)-6a,7,9,10-tetrahydropyrido[3,2-e][1,4]thiazino[4,3-a]pyrazin-6(5H)-one

Product 1

HCID 178468976HCID 178468976, compound

Sources & evidence

ORD record
ord-6c5279fa8f09414e9f29dfa09381eaf0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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