Sodium ion → HCID 178464957, compound

HRID 1562011Notes

Reaction equation

HRID 1562011 reaction equation
[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]3[n:13]([n:14]2)[c:15]([CH:18]([CH3:19])[NH:20][C:21]([O:22][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:23])[n:16][n:17]3)[cH:5][cH:6][cH:7]1.[Cl:80][CH2:81][Cl:82].[F:73][C:74]([F:75])([F:76])[C:77]([OH:78])=[O:79].[NH2:28][c:29]1[c:30]([C:35]([OH:36])=[O:37])[n:31][cH:32][cH:33][n:34]1.[Na+:72].[OH-:71].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]3[n:13]([n:14]2)[c:15]([CH:18]([CH3:19])[NH:20][C:21](=[O:22])[c:30]2[c:29]([NH2:28])[n:34][cH:33][cH:32][n:31]2)[n:16][n:17]3)[cH:5][cH:6][cH:7]1

Participants

10

Reactant 9

HCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 9886HexafluorophosphateHCID 726563-Amino-2-pyrazinecarboxylic acidHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 72270922tert-butyl N-[1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]carbamate

Product 1

HCID 178464957HCID 178464957, compound

Sources & evidence

ORD record
ord-43a7d18b63ee4f81ac07d7be67c1ea6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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