4,5-Dihydro-2-(methylthio)thiazole → HCID 178502183, compound
Reaction equation
[CH3:51][S:52][C:53]1=[N:57][CH2:56][CH2:55][S:54]1.[CH3:58][CH:59]([CH3:60])[CH:61]([NH:62][c:63]1[n:64][cH:65][cH:66][cH:67][n:68]1)[C:69]([N:70]1[CH2:71][CH2:72][CH2:73][CH:74]1[c:75]1[nH:76][c:77](-[c:78]2[cH:79][cH:80][c:81](-[c:82]3[cH:83][cH:84][c:85](-[c:86]4[nH:87][c:88]([CH:89]5[CH2:90][CH2:91][CH2:92][N:93]5[C:94]([O:95][C:96]([CH3:97])([CH3:98])[CH3:99])=[O:100])[n:101][cH:102]4)[cH:103][cH:104]3)[cH:105][cH:106]2)[cH:107][n:108]1)=[O:109].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH:6]([c:10]2[nH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[cH:22][cH:23][c:24](-[c:27]5[cH:28][n:29][c:30]([CH:32]6[N:33]([C:37]([CH:38]([CH:39]([CH3:40])[CH3:41])[NH:42][C:43]([O:44][CH3:45])=[O:46])=[O:47])[CH2:34][CH2:35][CH2:36]6)[nH:31]5)[cH:25][cH:26]4)[cH:19][cH:20]3)[cH:13][n:14]2)[CH2:7][CH2:8][CH2:9]1)[CH:48]([CH3:49])[CH3:50]>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH:6]([c:10]2[nH:11][c:12](-[c:15]3[cH:16][cH:17][c:18](-[c:21]4[cH:22][cH:23][c:24](-[c:27]5[cH:28][n:29][c:30]([CH:32]6[N:33]([C:37]([CH:38]([CH:39]([CH3:40])[CH3:41])[NH:42][C:43]([O:44][CH3:45])=[O:46])=[O:47])[CH2:34][CH2:35][CH2:36]6)[nH:31]5)[cH:25][cH:26]4)[cH:19][cH:20]3)[cH:13][n:14]2)[CH2:7][CH2:8][CH2:9]1)[CH:48]([CH3:49])[CH3:50])[C:53]1=[N:57][CH2:56][CH2:55][S:54]1Participants
4
Sources & evidence
- ORD record
- ord-919e8790a1814d79b712e82a649acbd2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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