Toluene → [1-(6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidin-2-ylidene]cyanamide

HRID 321649

Reaction equation

HRID 321649 reaction equation
[C:17](#[N:18])[N:19]=[C:20]([CH2:21][CH2:22][CH2:23][Cl:26])[O:24][CH3:25].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[NH2:1][CH:2]1[CH:3]([OH:16])[C:4]([CH3:14])([CH3:15])[O:5][c:6]2[c:7]1[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]2>>[N:1]1([CH:2]2[CH:3]([OH:16])[C:4]([CH3:14])([CH3:15])[O:5][c:6]3[c:7]2[cH:8][c:9]([C:12]#[N:13])[cH:10][cH:11]3)[C:20](=[N:19][C:17]#[N:18])[CH2:21][CH2:22][CH2:23]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 33905134-Amino-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrileHCID 15734837methyl N-cyano-4-chlorobutyrimidate

Product 1

HCID 19882396[1-(6-Cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyrrolidin-2-ylidene]cyanamide

Sources & evidence

ORD record
ord-641a882594054ffdb3424b9f6bb96d39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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