Ethanol → HCID 178504254, compound

HRID 179641Notes

Reaction equation

HRID 179641 reaction equation
[CH3:54][CH2:55][OH:56].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:12][c:13]3[n:14](-[c:26]4[cH:27][c:28]([N:32]5[CH2:33][C:34](=[O:47])[N:35]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[S:36]5(=[O:37])=[O:38])[cH:29][cH:30][cH:31]4)[cH:15][c:16](-[c:18]4[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]4)[n:17]3)[cH:48][cH:49]2)[n:6][n:7]1.[NH2:50][C:51]([NH2:52])=[S:53].[OH2:57]>>[c:2]1([SH:53])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:12][c:13]3[n:14](-[c:26]4[cH:27][c:28]([N:32]5[CH2:33][C:34](=[O:47])[N:35]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[S:36]5(=[O:37])=[O:38])[cH:29][cH:30][cH:31]4)[cH:15][c:16](-[c:18]4[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]4)[n:17]3)[cH:48][cH:49]2)[n:6][n:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8857Ethyl AcetateHCID 2723790ThioureaHCID 86614317HCID 86614317, compound

Product 1

HCID 178504254HCID 178504254, compound

Sources & evidence

ORD record
ord-2bf1e5c0ca9647d69ca2a3ded6870d14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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