Ethanol → HCID 22031561, compound

HRID 1144675Notes

Reaction equation

HRID 1144675 reaction equation
[Br:35][c:36]1[cH:37][cH:38][c:39]2[n:40]([cH:41]1)[c:42](-[c:45]1[s:46][c:47]([S:50][CH3:51])[cH:48][cH:49]1)[cH:43][n:44]2.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:65][CH2:66][OH:67].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:11][c:12]2[B:13]([OH:14])[OH:15])[cH:6][cH:7]1.[Na+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:11][c:12]2-[c:36]2[cH:37][cH:38][c:39]3[n:40]([cH:41]2)[c:42](-[c:45]2[s:46][c:47]([S:50][CH3:51])[cH:48][cH:49]2)[cH:43][n:44]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 22031633HCID 22031633, compoundHCID 22032084HCID 22032084, compound

Product 1

HCID 22031561HCID 22031561, compound

Sources & evidence

ORD record
ord-66b357fa3852474dafad7f12415956c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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