Water → HCID 25181652, compound

HRID 199022Notes

Reaction equation

HRID 199022 reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([N:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:17])[OH:18])[CH2:14][CH2:15]2)[n:6][cH:7][cH:8][cH:9]1.[OH2:34].[S:42]([Cl:43])([Cl:44])=[O:45].[c:19]1([C:25]#[CH:26])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([N:10]2[CH2:11][CH2:12][CH:13]([C:16](=[O:18])[C:26]#[C:25][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:14][CH2:15]2)[n:6][cH:7][cH:8][cH:9]1

Participants

7

Reactant 6

HCID 962WaterHCID 1140TolueneHCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 24386Thionyl ChlorideHCID 16788087HCID 16788087, compound

Product 1

HCID 25181652HCID 25181652, compound

Sources & evidence

ORD record
ord-57a5d194729645e4ad08267b4b000849
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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