Chloride → HCID 178494279, compound

HRID 203575Notes

Reaction equation

HRID 203575 reaction equation
[CH2:78]([Cl:79])[Cl:80].[CH3:1][OH:2].[CH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)=[N:15][N:16]1[C:17](=[O:61])[N:18]([C:21]2([C:48](=[O:49])[O:50][CH2:51][c:52]3[cH:53][cH:54][c:55]([N+:58](=[O:59])[O-:60])[cH:56][cH:57]3)[CH2:22][N:23]3[C:24](=[O:47])[C:25]([O:28][CH3:29])([N:30]=[CH:31][c:32]4[cH:33][c:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[c:39]([OH:40])[c:41]([C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46]4)[CH:26]3[S:27]2)[CH2:19][CH2:20]1.[Cl-:67].[NH:68]([C:69](=[O:70])[CH2:71][N+:72]([CH3:73])([CH3:74])[CH3:75])[NH2:76].[Na+:62].[O:3]1[CH2:4][CH2:5][CH2:6][CH2:7]1.[OH2:77].[OH:63][C:64](=[O:65])[O-:66]>>[CH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)=[N:15][N:16]1[C:17](=[O:61])[N:18]([C:21]2([C:48](=[O:49])[O:50][CH2:51][c:52]3[cH:53][cH:54][c:55]([N+:58](=[O:59])[O-:60])[cH:56][cH:57]3)[CH2:22][N:23]3[C:24](=[O:47])[C:25]([O:28][CH3:29])([NH2:30])[CH:26]3[S:27]2)[CH2:19][CH2:20]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 67157HCID 67157, compoundHCID 178494026HCID 178494026, compound

Product 1

HCID 178494279HCID 178494279, compound

Sources & evidence

ORD record
ord-d5687374ab3d4476b29151a4805d3d77
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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