Ethanol → HCID 57910794, compound

HRID 1139663Notes

Reaction equation

HRID 1139663 reaction equation
[CH2:35]([CH2:36][CH2:37][CH3:38])[O:39][C:40](=[CH2:41])[c:42]1[n:43][n:44][c:45]([Cl:48])[cH:46][cH:47]1.[CH3:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[cH:7][cH:8][c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1)[c:21]1[cH:22][cH:23][c:24]([O:27][CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][n:34]2)[cH:25][n:26]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:62][CH2:63][OH:64].[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54]>>[CH3:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[cH:7][cH:8][c:9](-[c:45]2[n:44][n:43][c:42]([C:40]([O:39][CH2:35][CH2:36][CH2:37][CH3:38])=[CH2:41])[cH:47][cH:46]2)[cH:10][cH:11]1)[c:21]1[cH:22][cH:23][c:24]([O:27][CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][n:34]2)[cH:25][n:26]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 53683605HCID 53683605, compoundHCID 57910784HCID 57910784, compound

Product 1

HCID 57910794HCID 57910794, compound

Sources & evidence

ORD record
ord-17f4f2644d6d401486c7679a69f67512
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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