Ethanol → HCID 178459010, compound

HRID 124416Notes

Reaction equation

HRID 124416 reaction equation
[CH3:50][NH2:51].[CH3:52][C:53]#[N:54].[CH3:55][CH2:56][OH:57].[o:1]1[c:2]([C:6](=[O:7])[O:8][C:9]2([C:44](=[O:45])[S:46][CH2:47][C:48]#[N:49])[CH2:10][CH2:11][CH:12]3[CH:13]4[CH2:14][CH2:15][C:16]5=[CH:24][c:23]6[c:19]([cH:20][n:21][n:22]6-[c:25]6[cH:26][c:27]([CH2:32][O:33][CH2:34][CH:35]=[CH2:36])[c:28]([F:31])[cH:29][cH:30]6)[CH2:18][C:17]5([CH3:43])[CH:37]4[CH:38]([OH:42])[CH2:39][C:40]23[CH3:41])[cH:3][cH:4][cH:5]1>>[o:1]1[c:2]([C:6](=[O:7])[O:8][C:9]2([C:44](=[O:45])[NH:51][CH3:50])[CH2:10][CH2:11][CH:12]3[CH:13]4[CH2:14][CH2:15][C:16]5=[CH:24][c:23]6[c:19]([cH:20][n:21][n:22]6-[c:25]6[cH:26][c:27]([CH2:32][O:33][CH2:34][CH:35]=[CH2:36])[c:28]([F:31])[cH:29][cH:30]6)[CH2:18][C:17]5([CH3:43])[CH:37]4[CH:38]([OH:42])[CH2:39][C:40]23[CH3:41])[cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6329MethylamineHCID 6342AcetonitrileHCID 178459011HCID 178459011, compound

Product 1

HCID 178459010HCID 178459010, compound

Sources & evidence

ORD record
ord-ae2cbdc91cef46bda511a593e37b770c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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