Chloride → HCID 57731538, compound

HRID 1125737Notes

Reaction equation

HRID 1125737 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][nH:18][c:19]12.[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:30][O:31][C:32]([c:33]1[c:34]([NH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[cH:35][cH:36][c:37]([B:39]2[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]2)[cH:38]1)=[O:56].[CH3:66][C:67]#[N:68].[Cl-:64].[ClH:65].[Na+:57].[Na+:58].[Na+:63].[O-:59][C:60](=[O:61])[O-:62]>>[c:2]1(-[c:37]2[cH:36][cH:35][c:34]([NH:48][C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[c:33]([C:32]([O:31][CH3:30])=[O:56])[cH:38]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[n:8]([S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][nH:18][c:19]12

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 57731579HCID 57731579, compoundHCID 686921261070979-39-3

Product 1

HCID 57731538HCID 57731538, compound

Sources & evidence

ORD record
ord-4092ac81b4ff4fa0b8ac4b8e1e62696b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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