4-(Chloromethyl)-2-methyl-1,3-thiazole → HCID 59750622, compound
Reaction equation
[CH3:1][c:2]1[c:3]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][C:14]([N:17]3[CH2:18][CH2:19][CH:20]([NH:23][c:24]4[cH:25][cH:26][cH:27][c:28]5[cH:29][cH:30][n:31]([CH3:33])[c:32]45)[CH2:21][CH2:22]3)([CH3:34])[CH2:15][CH2:16]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][c:48]([CH3:49])[c:50]1[C:51]([N:52]1[CH2:53][CH2:54][C:55]([CH3:56])([N:57]2[CH2:58][CH2:59][C:60](=[O:61])[CH2:62][CH2:63]2)[CH2:64][CH2:65]1)=[O:66].[CH3:67][n:68]1[c:69]2[c:70]([cH:71][cH:72][cH:73][c:74]2[NH2:75])[cH:76][cH:77]1.[Cl:35][CH2:36][c:37]1[n:38][c:39]([CH3:42])[s:40][cH:41]1>>[CH3:1][c:2]1[c:3]([C:9](=[O:10])[N:11]2[CH2:12][CH2:13][C:14]([N:17]3[CH2:18][CH2:19][CH:20]([N:23]([c:24]4[cH:25][cH:26][cH:27][c:28]5[cH:29][cH:30][n:31]([CH3:33])[c:32]45)[CH2:36][c:37]4[n:38][c:39]([CH3:42])[s:40][cH:41]4)[CH2:21][CH2:22]3)([CH3:34])[CH2:15][CH2:16]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-009441bab3a544ef87e9ff1974360be5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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