Hydrochloric Acid → HCID 53412023, compound

HRID 1218561Notes

Reaction equation

HRID 1218561 reaction equation
[CH2:63]([Cl:64])[Cl:65].[CH3:66][CH2:67][OH:68].[CH3:70][CH2:71][N:72]([CH2:73][CH3:74])[CH2:75][CH3:76].[ClH:62].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8]([O:9][CH2:10][CH3:11])=[O:12])[cH:13][cH:14]1.[Na+:61].[OH-:60].[OH2:69].[S:15]([Cl:16])([CH3:17])(=[O:18])=[O:19].[S:20](=[O:21])(=[O:22])([CH3:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([CH:29]=[CH:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:36][cH:37]1.[S:38]([N:39]([c:40]1[cH:41][cH:42][c:43]([CH:44]=[CH:45][C:46]([O:47][CH2:48][CH3:49])=[O:50])[cH:51][cH:52]1)[S:53]([CH3:54])(=[O:55])=[O:56])([CH3:57])(=[O:58])=[O:59]>>[S:20](=[O:21])(=[O:22])([CH3:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([CH:29]=[CH:30][C:31](=[O:32])[OH:33])[cH:36][cH:37]1

Participants

12

Reactant 11

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 97826Ethyl 3-(4-aminophenyl)acrylateHCID 54233064HCID 54233064, compoundHCID 54448829HCID 54448829, compound

Product 1

HCID 53412023HCID 53412023, compound

Sources & evidence

ORD record
ord-af2eb2f11b024685b57ddf3d10b06e25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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