Water → HCID 23350165, compound

HRID 2154757Notes

Reaction equation

HRID 2154757 reaction equation
[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[Cl:1][c:2]1[c:3]([NH:12][c:13]2[c:14]([N+:26](=[O:27])[O-:28])[cH:15][c:16]([N+:23](=[O:24])[O-:25])[cH:17][c:18]2[C:19]([F:20])([F:21])[F:22])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[Cl:29][C:30]([Cl:31])([Cl:32])[SH:33].[Cl:41][CH2:42][CH2:43][CH2:44][CH3:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:34]>>[Cl:1][c:2]1[c:3]([N:12]([c:13]2[c:14]([N+:26](=[O:27])[O-:28])[cH:15][c:16]([N+:23](=[O:24])[O-:25])[cH:17][c:18]2[C:19]([F:20])([F:21])[F:22])[S:33][C:30]([Cl:29])([Cl:31])[Cl:32])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6390TrichloromethanethiolHCID 8005Butyl ChlorideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 12797626Fentrifanil

Product 1

HCID 23350165HCID 23350165, compound

Sources & evidence

ORD record
ord-182fcfd7bdd243c186ed6baca0e26348
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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