Chloride → HCID 22677635, compound

HRID 1568032Notes

Reaction equation

HRID 1568032 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([CH:25]([CH3:26])[NH:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:23][cH:24]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[Cl-:16].[OH2:51].[S:12]([Cl:13])([Cl:14])=[O:15].[c:1]1([C:7]#[C:8][C:9](=[O:10])[OH:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]#[C:8][C:9](=[O:11])[N:27]([CH:25]([c:22]2[cH:21][cH:20][c:19]([O:18][CH3:17])[cH:24][cH:23]2)[CH3:26])[CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 962WaterHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 69475Phenylpropiolic AcidHCID 22677643HCID 22677643, compound

Product 1

HCID 22677635HCID 22677635, compound

Sources & evidence

ORD record
ord-3455185e1f344e50bd0121647d5586c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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