Bicarbonate Ion → HCID 67727703, compound

HRID 2126802Notes

Reaction equation

HRID 2126802 reaction equation
[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[NH2:23][CH2:24][c:25]1[n:26][n:27][cH:28][n:29]1-[c:30]1[s:31][c:32]([CH2:44][CH3:45])[cH:33][c:34]1[C:35]([c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)=[O:43].[Na+:62].[O:46]=[C:47]=[N:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[OH:63][C:64](=[O:65])[O-:66].[c:12]1([CH3:13])[cH:14][cH:15][c:16]([S:17]([OH:18])(=[O:19])=[O:20])[cH:21][cH:22]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[NH:23]([CH2:24][c:25]1[n:26][n:27][cH:28][n:29]1-[c:30]1[s:31][c:32]([CH2:44][CH3:45])[cH:33][c:34]1[C:35]([c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)=[O:43])[C:47](=[O:46])[NH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6101p-Toluenesulfonic acid2×HCID 6228DimethylformamideHCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 12434342HCID 12434342, compound

Product 1

HCID 67727703HCID 67727703, compound

Sources & evidence

ORD record
ord-6aa79134c85b415aaa7b8c48fcab3904
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…