Chloride → HCID 15097348, compound

HRID 296899Notes

Reaction equation

HRID 296899 reaction equation
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][S:34](=[O:35])(=[O:36])[OH:37].[CH3:38][N:39]([CH3:40])[c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[CH3:47][C:48]#[N:49].[Cl-:1].[OH2:50].[S:10]([NH2:11])(=[O:12])(=[O:13])[c:14]1[cH:15][c:16]([NH:20][C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[cH:17][cH:18][cH:19]1.[o:2]1[c:3]([C:7](=[O:8])[OH:9])[cH:4][cH:5][cH:6]1>>[o:2]1[c:3]([C:7](=[O:9])[NH:11][S:10](=[O:12])(=[O:13])[c:14]2[cH:15][c:16]([NH:20][C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[cH:17][cH:18][cH:19]2)[cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 962WaterHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 69192-Furancarboxylic acidHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 19758586HCID 19758586, compound

Product 1

HCID 15097348HCID 15097348, compound

Sources & evidence

ORD record
ord-6b1f6aeb053442acbc71ac3b574c84ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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