Chloride → HCID 178508088, compound

HRID 2331538Notes

Reaction equation

HRID 2331538 reaction equation
[CH2:73]([Cl:74])[Cl:75].[CH3:71][OH:72].[Cl-:69].[N+:37]([c:38]1[cH:39][c:40]([N+:41]([O-:42])=[O:43])[cH:44][cH:45][c:46]1[NH:47][NH2:48])([O-:49])=[O:50].[NH2:1][CH:2]1[CH:3]2[S:4][C:5]([C:10](=[O:11])[O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)([N:23]3[C:24](=[O:36])[N:25]([N:28]=[CH:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:26][CH2:27]3)[CH2:6][N:7]2[C:8]1=[O:9].[Na+:63].[Na+:68].[OH2:51].[OH2:70].[OH:64][C:65](=[O:66])[O-:67].[c:52]1([CH3:53])[cH:54][cH:55][c:56]([S:57]([OH:58])(=[O:59])=[O:60])[cH:61][cH:62]1>>[NH2:1][CH:2]1[CH:3]2[S:4][C:5]([C:10](=[O:11])[O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]3)([N:23]3[C:24](=[O:36])[N:25]([NH2:28])[CH2:26][CH2:27]3)[CH2:6][N:7]2[C:8]1=[O:9]

Participants

10

Reactant 9

HCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 3772977(2,4-Dinitrophenyl)hydrazineHCID 178508089HCID 178508089, compound

Product 1

HCID 178508088HCID 178508088, compound

Sources & evidence

ORD record
ord-b2e134cd73b046c4a74fb57a5f437d2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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