Acetonitrile → HCID 42630608, compound

HRID 296817Notes

Reaction equation

HRID 296817 reaction equation
[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:45][C:46]#[N:47].[Cl:21][C:22](=[O:23])[O:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[NH2:31][c:32]1[cH:33][c:34]([S:43][CH3:44])[cH:35][c:36]([NH:38][C:39](=[O:40])[NH:41][CH3:42])[n:37]1.[o:1]1[cH:2][c:3]([S:10](=[O:11])(=[O:12])[NH2:13])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[cH:2][c:3]([S:10](=[O:11])(=[O:12])[NH:13][C:22](=[O:23])[NH:31][c:32]2[cH:33][c:34]([S:43][CH3:44])[cH:35][c:36]([NH:38][C:39](=[O:40])[NH:41][CH3:42])[n:37]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 15891Phenyl chloroformateHCID 67273585HCID 67273585, compoundHCID 67274208HCID 67274208, compound

Product 1

HCID 42630608HCID 42630608, compound

Sources & evidence

ORD record
ord-9713b231892044108f5c5de150b124ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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