1,2-Dichloroethane → HCID 88403239, compound
Reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[NH:28][CH:29]([C:30](=[S:31])[OH:32])[CH2:33][C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[CH:5]1[CH2:6][N:7]([C:11]([c:12]2[c:13]([CH3:19])[c:14]([CH3:18])[cH:15][cH:16][cH:17]2)=[O:20])[CH2:8][CH2:9][NH:10]1.[CH2:63]([Cl:64])[CH2:65][Cl:66].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:67].[OH:53][n:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[n:61][n:62]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[CH:5]1[CH2:6][N:7]([C:11]([c:12]2[c:13]([CH3:19])[c:14]([CH3:18])[cH:15][cH:16][cH:17]2)=[O:20])[CH2:8][CH2:9][N:10]1[C:30]([CH:29]([NH:28][C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)=[S:31]Participants
7
Sources & evidence
- ORD record
- ord-4a0b4b06c32a46749407d6acdf8565c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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