Ethanol → HCID 25182930, compound

HRID 1538098Notes

Reaction equation

HRID 1538098 reaction equation
[CH3:50][CH2:51][OH:52].[CH:31]([NH:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[CH:38]1([CH2:41][NH:42][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:30])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:15][cH:16]2)[n:5][cH:6][n:7]1.[OH2:49]>>[c:2]1([N:42]([CH2:41][CH:38]2[CH2:39][CH2:40]2)[CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:3][c:4]([C:8](=[O:9])[NH:10][c:11]2[c:12]([CH3:30])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[NH:20][CH2:21][CH2:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[cH:15][cH:16]2)[n:5][cH:6][n:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 7912DiisopropylamineHCID 1531432N-(cyclopropylmethyl)cyclohexanamineHCID 59447084Tert-butyl 3-(4-(6-chloropyrimidine-4-carboxamido)-3-methylphenylsulfonamido)propanoate

Product 1

HCID 25182930HCID 25182930, compound

Sources & evidence

ORD record
ord-17e015ac54f2449b9e27cc8f11974a87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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