Chloride → HCID 77221716, compound
Reaction equation
[Al+3:70].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([c:52]2[cH:53][c:54]([CH2:59][c:60]3[cH:61][cH:62][c:63]([O:66][CH2:67][CH3:68])[cH:64][cH:65]3)[c:55]([Cl:58])[cH:56][cH:57]2)[O:11][CH:12]([CH2:31][O:32][C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:76][CH2:77][O:78][CH2:79][CH3:80].[Cl-:69].[Cl-:71].[Cl-:72].[Cl:73][CH2:74][Cl:75].[Na+:86].[O-:82][C:83]([OH:84])=[O:85].[OH2:81]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH:10]([c:52]2[cH:53][c:54]([CH2:59][c:60]3[cH:61][cH:62][c:63]([O:66][CH2:67][CH3:68])[cH:64][cH:65]3)[c:55]([Cl:58])[cH:56][cH:57]2)[O:11][CH:12]([CH2:31][OH:32])[CH:13]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:14]1[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1Participants
9
Sources & evidence
- ORD record
- ord-692b3d01f42a483fbd87231e75eed8a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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