Dichloromethane → HCID 11740960, compound
Reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([O-:32])=[O:33])[c:34]1[OH:35].[Cl:51][CH2:52][Cl:53].[F:1][c:2]1[cH:3][c:4]([C:23]#[N:24])[c:5](-[c:8]2[c:9]([F:22])[cH:10][cH:11][c:12](-[c:14]3[n:15][c:16]([S:20][CH3:21])[n:17][n:18][cH:19]3)[cH:13]2)[cH:6][cH:7]1.[F:36][c:37]1[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]1.[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[F:1][c:2]1[cH:3][c:4]([C:23]#[N:24])[c:5](-[c:8]2[c:9]([F:22])[cH:10][cH:11][c:12](-[c:14]3[n:15][c:16](-[c:40]4[cH:39][cH:38][c:37]([F:36])[cH:42][cH:41]4)[n:17][n:18][cH:19]3)[cH:13]2)[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-9b3bf26db5644d09a1b36acd9ea55a4f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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