Acetonitrile → HCID 178431272, compound

HRID 1535777Notes

Reaction equation

HRID 1535777 reaction equation
[CH3:1][C:2]1([CH3:29])[O:3][CH:4]2[CH:5]([O:6]1)[CH:7]([n:12]1[c:13]3[n:14][cH:15][n:16][c:17]([C:21]#[C:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:18]3[n:19][cH:20]1)[O:8][CH:9]2[CH2:10][OH:11].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:42][C:43]#[N:44].[Cl:37][S:38](=[O:39])(=[O:40])[NH2:41]>>[CH3:1][C:2]1([CH3:29])[O:3][CH:4]2[CH:5]([O:6]1)[CH:7]([n:12]1[c:13]3[n:14][cH:15][n:16][c:17]([C:21]#[C:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:18]3[n:19][cH:20]1)[O:8][CH:9]2[CH2:10][O:11][S:38](=[O:39])(=[O:40])[NH2:41]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 24499Chlorosulfamic acidHCID 68152139HCID 68152139, compound

Product 1

HCID 178431272HCID 178431272, compound

Sources & evidence

ORD record
ord-65457dd347bd479480462b796bbf7af3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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