Ethanol → HCID 76754812, compound

HRID 2161070Notes

Reaction equation

HRID 2161070 reaction equation
[CH2:32]1[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]1.[CH3:38][CH2:39][OH:40].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][c:16]([C:18](=[O:19])[NH:20][CH:21]([CH3:22])[c:23]4[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[c:17]23)[cH:6][n:7]1>>[c:2]1([O:40][CH2:39][CH3:38])[cH:3][cH:4][c:5]([CH2:8][n:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][c:16]([C:18](=[O:19])[NH:20][CH:21]([CH3:22])[c:23]4[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[c:17]23)[cH:6][n:7]1

Participants

4

Sources & evidence

ORD record
ord-bf72bd085128478985a5b4a026b34bf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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