Acetonitrile → HCID 11612496, compound

HRID 1128710Notes

Reaction equation

HRID 1128710 reaction equation
[CH3:45][C:46]#[N:47].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[NH2:1][CH:2]1[C:3](=[O:25])[N:4]([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:5]2[n:6][cH:7][c:8](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:9][c:10]2[CH2:11]1.[c:35]1([S:41](=[O:42])(=[O:43])[Cl:44])[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[NH:1]([CH:2]1[C:3](=[O:25])[N:4]([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:5]2[n:6][cH:7][c:8](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:9][c:10]2[CH2:11]1)[S:41]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:42])=[O:43]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 7369Benzenesulfonyl chlorideHCID 81531DiisopropylethylamineHCID 58671553HCID 58671553, compound

Product 1

HCID 11612496HCID 11612496, compound

Sources & evidence

ORD record
ord-8069f91b88be48918937647ad47b1ba1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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