Hydrochloric Acid → HCID 75236133, compound

HRID 1123646Notes

Reaction equation

HRID 1123646 reaction equation
[C:36]([CH2:37][P+:38]([CH3:39])([CH3:40])[CH3:41])#[N:42].[C:52](#[N:53])[CH2:54][CH3:55].[CH3:19][O:20][c:21]1[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27][c:28]1[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:56][C:57]#[N:58].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[ClH:18].[I-:35].[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][CH2:15][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][CH2:15][CH2:14][CH2:13]1)[N:32]1[CH2:31][CH2:30][N:29]([c:28]2[c:21]([O:20][CH3:19])[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]2)[CH2:34][CH2:33]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 583244753-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-oneHCID 66775143HCID 66775143, compound

Product 1

HCID 75236133HCID 75236133, compound

Sources & evidence

ORD record
ord-156341df3ec2405e89ada85191e97cc8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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