Hydrogen Sulfide → HCID 178456201, compound

HRID 688310Notes

Reaction equation

HRID 688310 reaction equation
[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH:37]([O:38][CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[NH2:1][CH:2]1[CH:3]([NH2:8])[CH2:4][CH2:5][CH2:6][CH2:7]1.[OH:10][CH2:11][CH:12]1[N:13]([CH2:17][CH:18]([CH3:19])[N:20]2[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[S:27][c:28]3[cH:29][cH:30][c:31]([C:34](=[S:35])[NH2:36])[cH:32][c:33]32)[CH2:14][CH2:15][CH2:16]1.[SH2:9]>>[NH:1]1[CH:2]2[CH:3]([CH2:4][CH2:5][CH2:6][CH2:7]2)[N:8]=[C:34]1[c:31]1[cH:30][cH:29][c:28]2[c:33]([cH:32]1)[N:20]([CH:18]([CH2:17][N:13]1[CH:12]([CH2:11][OH:10])[CH2:16][CH2:15][CH2:14]1)[CH3:19])[c:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1[S:27]2

Participants

6

Reactant 5

HCID 402Hydrogen SulfideHCID 46101,2-DiaminocyclohexaneHCID 7914Diisopropyl EtherHCID 8857Ethyl AcetateHCID 178456202HCID 178456202, compound

Product 1

HCID 178456201HCID 178456201, compound

Sources & evidence

ORD record
ord-19b9e9c56f2f4673a7b215dae86ab3ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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