Ethyl isothiocyanate → HCID 21515289, compound

HRID 2140854Notes

Reaction equation

HRID 2140854 reaction equation
[CH2:20]([N:21]=[C:22]=[S:23])[CH3:24].[c:1]1([C:2]2([C:3]#[N:4])[CH2:5][CH2:6][C:7]([N:8]3[CH2:9][CH2:10][CH2:11][CH2:12]3)=[CH:13][CH2:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:25]1([C:31]2([C:47]#[N:48])[CH2:32][C:33]([C:42]([NH:43][CH2:44][CH3:45])=[S:46])=[C:34]([N:37]3[CH2:38][CH2:39][CH2:40][CH2:41]3)[CH2:35][CH2:36]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:25]1([C:31]2([C:47]#[N:48])[CH2:32][C:33]([C:42]([NH:43][CH3:44])=[S:46])=[C:34]([N:37]3[CH2:38][CH2:39][CH2:40][CH2:41]3)[CH2:35][CH2:36]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1

Participants

4

Reactant 3

HCID 10966Ethyl isothiocyanateHCID 13433237HCID 13433237, compoundHCID 53728394HCID 53728394, compound

Product 1

HCID 21515289HCID 21515289, compound

Sources & evidence

ORD record
ord-32b3489f8839405e95460c3541b8393f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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