Ethanol → HCID 59485731, compound

HRID 698291Notes

Reaction equation

HRID 698291 reaction equation
[C:29](=[S:30])=[S:31].[CH3:41][CH2:42][OH:43].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([NH:13][CH:14]([CH2:15][NH2:16])[c:17]3[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]3)[cH:11][cH:12]2)[cH:27][cH:28]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([N:13]3[CH:14]([c:17]4[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][cH:21][cH:22]4)[CH2:15][NH:16][C:29]3=[S:30])[cH:11][cH:12]2)[cH:27][cH:28]1

Participants

5

Reactant 4

HCID 702EthanolHCID 6348Carbon DisulfideHCID 81531DiisopropylethylamineHCID 59485630HCID 59485630, compound

Product 1

HCID 59485731HCID 59485731, compound

Sources & evidence

ORD record
ord-80316d8d3c46465a89dfe76d8701be49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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