Ammonium → HCID 67283319, compound

HRID 139523Notes

Reaction equation

HRID 139523 reaction equation
[CH3:43][C:44]#[N:45].[NH2:6][c:7]1[n:8][cH:9][c:10]([C:13]2=[N:19][CH:18]([CH2:20][c:21]3[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]3)[C:17](=[O:28])[N:16]([CH2:29][c:30]3[cH:31][cH:32][c:33]([O:34][CH3:35])[cH:36][cH:37]3)[c:15]3[c:14]2[cH:41][c:40]([Cl:42])[cH:39][cH:38]3)[cH:11][n:12]1.[NH4+:1].[O-:2][N+:3](=[O:4])[O-:5].[OH2:46]>>[NH2:6][c:7]1[n:8][cH:9][c:10]([C:13]2=[N:19][CH:18]([CH2:20][c:21]3[c:22]([Cl:27])[cH:23][cH:24][cH:25][cH:26]3)[C:17](=[O:28])[NH:16][c:15]3[c:14]2[cH:41][c:40]([Cl:42])[cH:39][cH:38]3)[cH:11][n:12]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 943NitrateHCID 962WaterHCID 6342AcetonitrileHCID 67282345HCID 67282345, compound

Product 1

HCID 67283319HCID 67283319, compound

Sources & evidence

ORD record
ord-fc9c15ded72c4ce881bd943c66953587
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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