Water → HCID 178477618, compound

HRID 679923Notes

Reaction equation

HRID 679923 reaction equation
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([S:15](=[O:16])(=[O:17])[CH3:18])[c:10]1[S:11](=[O:12])[CH2:13][CH3:14].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[OH2:42].[OH:19][c:20]1[n:21]([CH3:25])[n:22][cH:23][cH:24]1.[S:32]([Cl:33])([Cl:34])=[O:35].[cH:26]1[cH:27][cH:28][n:29][cH:30][cH:31]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[c:24]2[c:20]([OH:19])[n:21]([CH3:25])[n:22][cH:23]2)[cH:7][cH:8][c:9]([S:15](=[O:16])(=[O:17])[CH3:18])[c:10]1[S:11](=[O:12])[CH2:13][CH3:14]

Participants

7

Reactant 6

HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 24386Thionyl ChlorideHCID 67980695HCID 67980695, compoundHCID 178481816HCID 178481816, compound

Product 1

HCID 178477618HCID 178477618, compound

Sources & evidence

ORD record
ord-f6f086ea1ac84c73a676c0dee6655886
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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