Ammonium → HCID 59680503, compound

HRID 2138140Notes

Reaction equation

HRID 2138140 reaction equation
[C:35]([n:36]1[cH:37][cH:38][n:39][cH:40]1)([n:41]1[cH:42][cH:43][n:44][cH:45]1)=[O:46].[Cl-:62].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([CH:14]([C:15](=[O:16])[OH:17])[c:18]3[cH:19][cH:20][c:21]([O:24][CH2:25][c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:22][cH:23]3)[cH:12][cH:13]2)[cH:33][cH:34]1.[H-:52].[NH2:54][c:55]1[s:56][s:57][c:58](=[S:60])[n:59]1.[NH4+:63].[Na+:53].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:61].[nH:47]1[cH:48][cH:49][n:50][cH:51]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][cH:10][c:11]([CH:14]([C:15](=[O:16])[NH:54][c:55]3[s:56][s:57][c:58](=[S:60])[n:59]3)[c:18]3[cH:19][cH:20][c:21]([O:24][CH2:25][c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[cH:22][cH:23]3)[cH:12][cH:13]2)[cH:33][cH:34]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 795ImidazoleHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 166653HydrideHCID 2735329Xanthane hydrideHCID 69310221HCID 69310221, compound

Product 1

HCID 59680503HCID 59680503, compound

Sources & evidence

ORD record
ord-fbc6ef6cb3994fe1bade11fec2cd2fb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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