Chloride → HCID 18670158, compound

HRID 2127443Notes

Reaction equation

HRID 2127443 reaction equation
[CH2:32]([CH3:33])[N:34]=[C:35]=[O:36].[CH3:1][O:2][CH2:3][N:4]1[c:5]2[c:6]([n:22][cH:23][cH:24][n:25]2)[S:7][c:8]2[c:9]1[cH:10][c:11]([CH2:14][NH:15][c:16]1[cH:17][n:18][cH:19][cH:20][cH:21]1)[cH:12][cH:13]2.[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl-:38].[Na+:37].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1>>[CH3:1][O:2][CH2:3][N:4]1[c:5]2[c:6]([n:22][cH:23][cH:24][n:25]2)[S:7][c:8]2[c:9]1[cH:10][c:11]([CH2:14][N:15]([c:16]1[cH:17][n:18][cH:19][cH:20][cH:21]1)[C:35]([NH:34][CH2:32][CH3:33])=[O:36])[cH:12][cH:13]2

Participants

7

Reactant 6

HCID 312ChlorideHCID 923Sodium ionHCID 1049PyridineHCID 1140TolueneHCID 8022Ethyl isocyanateHCID 18670411HCID 18670411, compound

Product 1

HCID 18670158HCID 18670158, compound

Sources & evidence

ORD record
ord-bd09cf2b662c458995f8dcd914f3e72b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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