Ammonium → HCID 18438089, compound

HRID 193641Notes

Reaction equation

HRID 193641 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](-[c:28]2[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]2)[n:7][c:8]([Cl:27])[c:9]1[CH2:10][N:11]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[CH2:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][nH:23][c:24]2[cH:25][cH:26]1.[CH3:49][C:50]#[N:51].[Cl:35][S:36](=[O:38])([N:39]=[C:40]=[O:37])=[O:41].[NH4+:47].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH-:48].[OH2:52]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](-[c:28]2[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]2)[n:7][c:8]([Cl:27])[c:9]1[CH2:10][N:11]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[CH2:17][c:18]1[cH:19][c:20]2[c:21]([C:40]#[N:39])[cH:22][nH:23][c:24]2[cH:25][cH:26]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 70918Chlorosulfonyl isocyanateHCID 18437858HCID 18437858, compound

Product 1

HCID 18438089HCID 18438089, compound

Sources & evidence

ORD record
ord-d5a2380e239d4352bac9337871be6529
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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