Chloride → HCID 178450437, compound

Reaction equation

[C-:27]#[N:28].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][c:8]1[cH:9][c:10](-[c:14]2[c:15](-[c:20]3[cH:21][cH:22][cH:23][c:24]([Br:26])[cH:25]3)[cH:16][cH:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cl-:29]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][c:8]1[cH:9][c:10](-[c:14]2[c:15](-[c:20]3[cH:21][cH:22][cH:23][c:24]([C:27]#[N:28])[cH:25]3)[cH:16][cH:17][cH:18][cH:19]2)[cH:11][cH:12][cH:13]1

Participants

Reactant 4

HCID 312Chloride

HCID 1140Toluene

HCID 5975Cyanide

HCID 178450436HCID 178450436, compound

Product 1

HCID 178450437HCID 178450437, compound

Sources & evidence

ORD record: ord-dca2493b1220403da8ecf2089f84e580
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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