4-Nitrobenzenesulfonyl chloride → HCID 22142902, compound

HRID 1150940Notes

Reaction equation

HRID 1150940 reaction equation
[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]1.[NH2:1][CH2:2][CH2:3][NH:4][c:5]1[n:6][cH:7][c:8](-[c:19]2[nH:20][cH:21][cH:22][n:23]2)[c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[n:10]1>>[NH:1]([CH2:2][CH2:3][NH:4][c:5]1[n:6][cH:7][c:8](-[c:19]2[nH:20][cH:21][cH:22][n:23]2)[c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]#[N:18])[cH:15][cH:16]2)[n:10]1)[S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]1

Participants

5

Reactant 4

HCID 74044-Nitrobenzenesulfonyl chlorideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 572319134-{2-[(2-Aminoethyl)amino]-5-imidazolylpyrimidin-4-yl}benzenecarbonitrile

Product 1

HCID 22142902HCID 22142902, compound

Sources & evidence

ORD record
ord-531400d00f8440be98a68d5ae1701109
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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