Ethanol → HCID 67249384, compound

HRID 1201337Notes

Reaction equation

HRID 1201337 reaction equation
[CH3:43][CH2:44][O:45][CH2:46][CH3:47].[CH3:48][CH2:49][OH:50].[Cl:1][c:2]1[c:3]2[cH:4][n:5][c:6]3[n:7]([c:8]2[n:9][cH:10][n:11]1)[n:12][c:13]([CH3:15])[cH:14]3.[NH2:16][c:17]1[c:18]([S:35][c:36]2[cH:37][cH:38][c:39]([OH:42])[cH:40][cH:41]2)[cH:19][cH:20][c:21]([O:23][CH2:24][c:25]2[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]2)[cH:22]1>>[c:2]1([NH:16][c:17]2[c:18]([S:35][c:36]3[cH:37][cH:38][c:39]([OH:42])[cH:40][cH:41]3)[cH:19][cH:20][c:21]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]3)[cH:22]2)[c:3]2[cH:4][n:5][c:6]3[n:7]([c:8]2[n:9][cH:10][n:11]1)[n:12][c:13]([CH3:15])[cH:14]3

Participants

5

Reactant 4

HCID 702EthanolHCID 3283Diethyl EtherHCID 66808275HCID 66808275, compoundHCID 86654886HCID 86654886, compound

Product 1

HCID 67249384HCID 67249384, compound

Sources & evidence

ORD record
ord-868d3f5096ea4d53b8b5525eaaccb1f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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