Methanol → HCID 87949734, compound
Reaction equation
[BH4-:87].[CH2:91]1[O:92][CH2:93][CH2:94][CH2:95]1.[CH3:89][OH:90].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][c:7]([CH2:8][O:9][CH:10]2[CH2:11][CH2:12][CH:13]3[NH:14][C:15]2([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][CH:23]3[c:24]2[n:25]([CH2:26][S:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[n:34][n:35][cH:36]2)[cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[cH:43]1.[F:44][C:45]([c:46]1[cH:47][c:48]([CH2:56][O:57][CH:58]2[C:59]3([c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[CH2:60][CH:61]([c:66]4[cH:67][n:68]([CH2:71][S:72][c:73]5[cH:74][cH:75][cH:76][cH:77][cH:78]5)[n:69][n:70]4)[CH:62]([CH2:63][CH2:64]2)[NH:65]3)[cH:49][c:50]([C:52]([F:53])([F:54])[F:55])[cH:51]1)([F:85])[F:86].[Na+:88].[Ni:102]([Cl:103])[Cl:104].[OH2:100].[OH2:101].[OH2:96].[OH2:97].[OH2:98].[OH2:99]>>[F:44][C:45]([c:46]1[cH:47][c:48]([CH2:56][O:57][CH:58]2[C:59]3([c:79]4[cH:80][cH:81][cH:82][cH:83][cH:84]4)[CH2:60][CH:61]([c:66]4[cH:67][n:68]([CH3:71])[n:69][n:70]4)[CH:62]([CH2:63][CH2:64]2)[NH:65]3)[cH:49][c:50]([C:52]([F:53])([F:54])[F:55])[cH:51]1)([F:85])[F:86]Participants
9
Sources & evidence
- ORD record
- ord-a69b20029c1e4bc6afa7f06eeb119ae6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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