Ethanol → HCID 59643350, compound

HRID 305250Notes

Reaction equation

HRID 305250 reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:49][CH2:50][OH:51].[CH:1]1([c:4]2[o:5][cH:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([O:21][C:22]([C:23](=[O:24])[O:25][CH2:26][CH3:27])([CH3:28])[CH3:29])[cH:30][cH:31]4)[c:32]4[n:33][o:34][c:35](-[c:37]5[cH:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]5)[n:36]4)[cH:47][cH:48]3)[n:8]2)[CH2:2][CH2:3]1.[Li+:54].[OH-:53].[OH2:52]>>[CH:1]1([c:4]2[o:5][cH:6][c:7](-[c:9]3[cH:10][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][c:17]4[cH:18][cH:19][c:20]([O:21][C:22]([C:23](=[O:24])[OH:25])([CH3:28])[CH3:29])[cH:30][cH:31]4)[c:32]4[n:33][o:34][c:35](-[c:37]5[cH:38][c:39]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:41][cH:42]5)[n:36]4)[cH:47][cH:48]3)[n:8]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 702EthanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 69099654HCID 69099654, compound

Product 1

HCID 59643350HCID 59643350, compound

Sources & evidence

ORD record
ord-dcbdeb0271d3455da3f5e28bedc60940
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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