HCID 22032052, compound → HCID 22031082, compound
Reaction equation
[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][n:11][c:12]3[cH:13][cH:14][c:15](-[c:18]4[c:19](-[c:42]5[cH:43][cH:44][c:45]([C:46](=[O:47])[O:48][CH3:49])[cH:50][cH:51]5)[n:20][n:21]([C:23]([c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)([c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)[cH:22]4)[cH:16][c:17]23)[s:7]1.[CH3:52][S:53][c:54]1[s:55][c:56](-[c:57]2[c:58]3[c:59]([cH:60][cH:61][c:62](-[c:63]4[c:64](-[c:65]5[cH:66][cH:67][c:68]([C:69]([O:70][CH2:71][CH3:72])=[O:73])[cH:74][cH:75]5)[n:76][n:77]([C:78]([c:79]5[cH:80][cH:81][cH:82][cH:83][cH:84]5)([c:85]5[cH:86][cH:87][cH:88][cH:89][cH:90]5)[c:91]5[cH:92][cH:93][cH:94][cH:95][cH:96]5)[cH:97]4)[cH:98]3)[n:99][cH:100][n:101]2)[cH:102][cH:103]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6](-[c:8]2[n:9][cH:10][n:11][c:12]3[cH:13][cH:14][c:15](-[c:18]4[c:19](-[c:42]5[cH:43][cH:44][c:45]([CH2:46][OH:47])[cH:50][cH:51]5)[n:20][n:21]([C:23]([c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)([c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[c:36]5[cH:37][cH:38][cH:39][cH:40][cH:41]5)[cH:22]4)[cH:16][c:17]23)[s:7]1Participants
3
Sources & evidence
- ORD record
- ord-6df5bc07bc0f4d6bb1efa9553751e445
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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