Water → HCID 69020975, compound

HRID 2140338Notes

Reaction equation

HRID 2140338 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:20])[cH:8][c:9]([C:18]#[N:19])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1.[CH2:53]([Cl:54])[Cl:55].[CH3:50][C:51]#[N:52].[F:21][c:22]1[c:23]([N+:28](=[O:29])[O-:30])[cH:24][cH:25][cH:26][cH:27]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[OH2:49]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:20])[cH:8][c:9]([C:18]#[N:19])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([O:17][c:22]2[c:23]([N+:28](=[O:29])[O-:30])[cH:24][cH:25][cH:26][cH:27]2)[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 2855718-Crown-6HCID 738951-Fluoro-2-nitrobenzeneHCID 69021586HCID 69021586, compound

Product 1

HCID 69020975HCID 69020975, compound

Sources & evidence

ORD record
ord-92c6192687df4ce08b0482834945a6bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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