HCID 22032168, compound → HCID 22031477, compound
Reaction equation
[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]3[n:12]2[cH:13][c:14](-[c:17]2[c:18](-[c:41]4[cH:42][cH:43][c:44]([C:45](=[O:46])[O:47][CH3:48])[cH:49][cH:50]4)[n:19][n:20]([C:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:21]2)[cH:15][cH:16]3)[s:7]1.[CH3:51][S:52][c:53]1[s:54][c:55](-[c:56]2[n:57]3[cH:58][c:59](-[c:60]4[c:61](-[c:62]5[cH:63][cH:64][c:65]([C:66]([O:67][CH2:68][CH3:69])=[O:70])[cH:71][cH:72]5)[n:73][n:74]([C:75]([c:76]5[cH:77][cH:78][cH:79][cH:80][cH:81]5)([c:82]5[cH:83][cH:84][cH:85][cH:86][cH:87]5)[c:88]5[cH:89][cH:90][cH:91][cH:92][cH:93]5)[cH:94]4)[cH:95][cH:96][c:97]3[n:98][cH:99]2)[cH:100][cH:101]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]3[n:12]2[cH:13][c:14](-[c:17]2[c:18](-[c:41]4[cH:42][cH:43][c:44]([CH2:45][OH:46])[cH:49][cH:50]4)[n:19][n:20]([C:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:21]2)[cH:15][cH:16]3)[s:7]1Participants
3
Sources & evidence
- ORD record
- ord-c45df80c8b524c6793b0cb55714c7a71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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