2-Acetamido-4-methylthiazole-5-sulfonyl chloride → HCID 87206203, compound
Reaction equation
[C:55]([CH3:56])(=[O:57])[NH:58][c:59]1[s:60][c:61]([S:65](=[O:66])(=[O:67])[Cl:68])[c:62]([CH3:64])[n:63]1.[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][cH:17]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[CH:23]1[NH:24][CH2:25][c:26]2[cH:27][c:28]3[c:33]([cH:34][c:35]2[CH2:36]1)[NH:32][C:31](=[O:37])[CH:30]([c:38]1[cH:39][cH:40][c:41]([O:44][CH2:45][c:46]2[cH:47][c:48]([Cl:53])[c:49]([Cl:52])[cH:50][cH:51]2)[cH:42][cH:43]1)[O:29]3)=[O:54]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][cH:17]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[CH:23]1[N:24]([S:65]([c:61]2[s:60][c:59]([NH:58][C:55]([CH3:56])=[O:57])[n:63][c:62]2[CH3:64])(=[O:66])=[O:67])[CH2:25][c:26]2[cH:27][c:28]3[c:33]([cH:34][c:35]2[CH2:36]1)[NH:32][C:31](=[O:37])[CH:30]([c:38]1[cH:39][cH:40][c:41]([O:44][CH2:45][c:46]2[cH:47][c:48]([Cl:53])[c:49]([Cl:52])[cH:50][cH:51]2)[cH:42][cH:43]1)[O:29]3)=[O:54]Participants
3
Sources & evidence
- ORD record
- ord-79dcaddc97384b008802bef122f7d227
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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