Dichloromethane → HCID 54340141, compound
Reaction equation
[CH2:79]([Cl:80])[Cl:81].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[O:21][C:22](=[O:23])[C:24]1=[C:31]([CH2:32][CH:33]=[O:34])[CH2:30][O:29][CH:28]2[N:25]1[C:26](=[O:67])[CH:27]2[NH:35][C:36]([C:37]([c:38]1[n:39][c:40]([NH:43][C:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[s:41][cH:42]1)=[N:63][O:64][CH3:65])=[O:66].[S:68](=[O:69])(=[O:70])([c:71]1[cH:72][cH:73][c:74]([CH3:75])[cH:76][cH:77]1)[Cl:78]>>[CH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[O:21][C:22](=[O:23])[C:24]1=[C:31]([CH:32]=[CH:33][O:34][S:68](=[O:69])(=[O:70])[c:71]2[cH:72][cH:73][c:74]([CH3:75])[cH:76][cH:77]2)[CH2:30][O:29][CH:28]2[N:25]1[C:26](=[O:67])[CH:27]2[NH:35][C:36]([C:37]([c:38]1[n:39][c:40]([NH:43][C:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[s:41][cH:42]1)=[N:63][O:64][CH3:65])=[O:66]Participants
5
Sources & evidence
- ORD record
- ord-21ec93cdfa324c10a8fed3f4fbf76e69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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