Water → HCID 21082202, compound

HRID 1124541Notes

Reaction equation

HRID 1124541 reaction equation
[Al+3:38].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:43][CH2:44][O:45][CH2:46][CH3:47].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[o:9][c:10]([CH3:36])[c:11]([CH2:13][n:14]3[c:15]([CH3:35])[c:16]([CH:33]=[O:34])[c:17]4[cH:18][c:19]([C:23]([C:24]([F:25])([F:26])[F:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:20][cH:21][c:22]34)[n:12]2)[cH:5][cH:6][cH:7]1.[H-:37].[H-:40].[H-:41].[H-:42].[Li+:39].[OH2:48]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[o:9][c:10]([CH3:36])[c:11]([CH2:13][n:14]3[c:15]([CH3:35])[c:16]([CH2:33][OH:34])[c:17]4[cH:18][c:19]([C:23]([C:24]([F:25])([F:26])[F:27])([C:28]([F:29])([F:30])[F:31])[OH:32])[cH:20][cH:21][c:22]34)[n:12]2)[cH:5][cH:6][cH:7]1

Participants

8

Sources & evidence

ORD record
ord-14624adb7b7f46598da931511a9a72b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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