Ammonium → HCID 69216303, compound

HRID 300214Notes

Reaction equation

HRID 300214 reaction equation
[CH2:59]([CH2:60][O:61][CH3:62])[O:63][CH3:64].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:20][O:21][c:22]1[cH:23][c:24]([CH2:25][O:26][c:27]2[n:28][n:29](-[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:30][c:31]2[CH:32]=[O:33])[cH:40][cH:41][c:42]1[O:43][CH2:44][c:45]1[n:46][c:47](-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[o:48][c:49]1[CH3:50].[CH3:65][OH:66].[Cl-:57].[K+:6].[NH4+:58].[c:7]1([CH3:8])[cH:9][cH:10][c:11]([S:12](=[O:14])(=[O:15])[CH2:16][N+:17]#[C-:13])[cH:18][cH:19]1>>[C:16](#[N:17])[CH2:32][c:31]1[c:27]([O:26][CH2:25][c:24]2[cH:23][c:22]([O:21][CH3:20])[c:42]([O:43][CH2:44][c:45]3[n:46][c:47](-[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[o:48][c:49]3[CH3:50])[cH:41][cH:40]2)[n:28][n:29](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:30]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium CationHCID 887MethanolHCID 80711,2-DimethoxyethaneHCID 161915Tosylmethyl isocyanideHCID 45749132-Methylpropan-2-olateHCID 86605805HCID 86605805, compound

Product 1

HCID 69216303HCID 69216303, compound

Sources & evidence

ORD record
ord-cc312b23c1154374a4c60d454360a853
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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