Ethanol → HCID 66830440, compound

HRID 1545216Notes

Reaction equation

HRID 1545216 reaction equation
[C:40]12([CH2:41][S:42]([OH:43])(=[O:44])=[O:45])[C:46]([CH3:47])([CH3:48])[CH:49]([CH2:50][CH2:51]1)[CH2:52][C:53]2=[O:54].[CH2:17]([CH3:18])[O:19][C:20]([c:21]1[c:22]([NH:27][c:28]2[n:29][c:30]([Cl:35])[n:31][cH:32][c:33]2[Cl:34])[cH:23][cH:24][cH:25][cH:26]1)=[O:36].[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH2:16])[cH:14][cH:15]2)[CH2:10][CH2:11]1.[CH3:37][CH2:38][OH:39]>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][c:8]2[c:9]([cH:12][c:13]([NH:16][c:30]3[n:29][c:28]([NH:27][c:22]4[c:21]([C:20]([O:19][CH2:17][CH3:18])=[O:36])[cH:26][cH:25][cH:24][cH:23]4)[c:33]([Cl:34])[cH:32][n:31]3)[cH:14][cH:15]2)[CH2:10][CH2:11]1

Participants

5

Reactant 4

HCID 702EthanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amineHCID 57974171HCID 57974171, compound

Product 1

HCID 66830440HCID 66830440, compound

Sources & evidence

ORD record
ord-e02667916cf44f74b3516ed308dd40ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…