1,2-Dichloroethane → HCID 86747300, compound
Reaction equation
[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:68])[CH2:5][CH:6]([OH:67])[CH:7]([CH3:66])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:63][CH3:64])[CH:47]([O:50][c:51]3[cH:52][c:53]4[cH:54][c:55]([CH:60]([CH3:61])[OH:62])[nH:56][c:57]4[cH:58][cH:59]3)[CH2:48][CH2:49]2)[CH3:65])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2.[CH2:77]([Cl:78])[CH2:79][Cl:80].[CH2:81]([Cl:82])[Cl:83].[CH3:70][N:71]([CH3:72])[CH2:73][C:74]([OH:75])=[O:76].[CH3:84][N:85]([c:86]1[cH:87][cH:88][n:89][cH:90][cH:91]1)[CH3:92].[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[ClH:69]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:68])[CH2:5][CH:6]([OH:67])[CH:7]([CH3:66])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:63][CH3:64])[CH:47]([O:50][c:51]3[cH:52][c:53]4[cH:54][c:55]([CH:60]([CH3:61])[O:62][C:74]([CH2:73][N:71]([CH3:70])[CH3:72])=[O:75])[nH:56][c:57]4[cH:58][cH:59]3)[CH2:48][CH2:49]2)[CH3:65])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2Participants
8
Sources & evidence
- ORD record
- ord-b3f3f89f99b24e62af0010b7a947fa5f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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