Ethanol → HCID 24983252, compound

HRID 1535542Notes

Reaction equation

HRID 1535542 reaction equation
[CH2:32]([OH:33])[CH3:34].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[F:1][c:2]1[cH:3][c:4]([NH2:31])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16](-[c:18]1[o:19][c:20]([CH2:23][N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:21][cH:22]1)[s:17]2.[c:35]1([CH3:36])[cH:37][cH:38][cH:39][cH:40][cH:41]1.[c:42]1([CH2:48][C:49](=[O:50])[N:51]=[C:52]=[S:53])[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[F:1][c:2]1[cH:3][c:4]([NH:31][C:52]([NH:51][C:49]([CH2:48][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:50])=[S:53])[cH:5][cH:6][c:7]1[O:8][c:9]1[c:10]2[c:11]([n:12][cH:13][cH:14]1)[cH:15][c:16](-[c:18]1[o:19][c:20]([CH2:23][N:24]3[CH2:25][CH2:26][N:27]([CH3:30])[CH2:28][CH2:29]3)[cH:21][cH:22]1)[s:17]2

Participants

5

Reactant 4

HCID 702EthanolHCID 1140Toluene2×HCID 12454157Phenylacetyl isothiocyanateHCID 67345312HCID 67345312, compound

Product 1

HCID 24983252HCID 24983252, compound

Sources & evidence

ORD record
ord-5dbb4ed48de44ca39b08ed1f0b3977bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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