1,2-Dimethoxyethane → HCID 66984753, compound
Reaction equation
[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:1]1([CH:4]([CH3:5])[O:6][C:7]([NH:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[n:16]([CH:35]4[CH2:36][CH2:37][CH2:38]4)[c:17]4[cH:18][c:19]([B:26]5[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]5)[cH:20][cH:21][c:22]4[c:23]3[C:24]#[N:25])[cH:13][cH:14]2)=[O:39])[CH2:2][CH2:3]1.[Cl:40][c:41]1[n:42][cH:43][cH:44][cH:45][n:46]1.[Cs+:48].[F-:47].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[CH:1]1([CH:4]([CH3:5])[O:6][C:7]([NH:8][c:9]2[cH:10][cH:11][c:12](-[c:15]3[n:16]([CH:35]4[CH2:36][CH2:37][CH2:38]4)[c:17]4[cH:18][c:19](-[c:41]5[n:42][cH:43][cH:44][cH:45][n:46]5)[cH:20][cH:21][c:22]4[c:23]3[C:24]#[N:25])[cH:13][cH:14]2)=[O:39])[CH2:2][CH2:3]1Participants
8
Sources & evidence
- ORD record
- ord-66224dc7a6694eaab8f3d414d947b5cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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