2-Acetamido-4-methylthiazole-5-sulfonyl chloride → HCID 76761669, compound
Reaction equation
[C:54]([CH3:55])(=[O:56])[NH:57][c:58]1[s:59][c:60]([S:64](=[O:65])(=[O:66])[Cl:67])[c:61]([CH3:63])[n:62]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:29]([cH:30][c:31]2[CH2:32]1)[O:33][CH2:34][CH:35]([c:37]1[cH:38][cH:39][c:40]([O:43][CH2:44][c:45]2[cH:46][c:47]([Cl:52])[c:48]([Cl:51])[cH:49][cH:50]2)[cH:41][cH:42]1)[O:36]3)=[O:53]>>[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:64]([c:60]2[s:59][c:58]([NH:57][C:54]([CH3:55])=[O:56])[n:62][c:61]2[CH3:63])(=[O:65])=[O:66])[CH2:25][c:26]2[cH:27][c:28]3[c:29]([cH:30][c:31]2[CH2:32]1)[O:33][CH2:34][CH:35]([c:37]1[cH:38][cH:39][c:40]([O:43][CH2:44][c:45]2[cH:46][c:47]([Cl:52])[c:48]([Cl:51])[cH:49][cH:50]2)[cH:41][cH:42]1)[O:36]3)=[O:53]Participants
3
Sources & evidence
- ORD record
- ord-49ea0c4686f44f81bd82444d481f7c8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…