HCID 10579646, compound → HCID 54307072, compound
Reaction equation
[CH3:1][c:2]1[n:3][c:4]2[n:5]([n:6]1)[n:7]([CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3-[c:22]3[n:23]([C:24]([c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)([c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[n:43][n:44][n:45]3)[cH:46][cH:47]1)[cH:8][c:9]2[CH3:10].[CH3:48][c:49]1[n:50]([CH2:58][c:59]2[cH:60][cH:61][c:62](-[c:65]3[c:66](-[c:71]4[n:72][n:73][n:74][n:75]4[C:76]([c:77]4[cH:78][cH:79][cH:80][cH:81][cH:82]4)([c:83]4[cH:84][cH:85][cH:86][cH:87][cH:88]4)[c:89]4[cH:90][cH:91][cH:92][cH:93][cH:94]4)[cH:67][cH:68][cH:69][cH:70]3)[cH:63][cH:64]2)[c:51]2[n:52]([n:53]1)[n:54][cH:55][c:56]2[CH3:57]>>[CH3:1][c:2]1[nH:3][c:4]2[n:5]([n:6]1)[n:7][cH:8][c:9]2[CH3:10].[CH3:48][c:49]1[n:50]([CH2:58][c:59]2[cH:60][cH:61][c:62](-[c:65]3[c:66](-[c:71]4[n:72][n:73][n:74][n:75]4[C:76]([c:77]4[cH:78][cH:79][cH:80][cH:81][cH:82]4)([c:83]4[cH:84][cH:85][cH:86][cH:87][cH:88]4)[c:89]4[cH:90][cH:91][cH:92][cH:93][cH:94]4)[cH:67][cH:68][cH:69][cH:70]3)[cH:63][cH:64]2)[c:51]2[n:52]([n:53]1)[n:54][cH:55][c:56]2[CH3:57]Participants
4
Sources & evidence
- ORD record
- ord-028801be113b4ef8bf51790d26414644
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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