Ethanol → HCID 69741553, compound

HRID 1543496Notes

Reaction equation

HRID 1543496 reaction equation
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:18][c:19]1[c:20]([CH:36]=[O:37])[nH:21][c:22]([CH3:35])[c:23]1[CH2:24][CH2:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]1.[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[NH:12][C:11](=[O:17])[CH2:10]3)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[NH:12][C:11](=[O:17])[C:10]3=[CH:36][c:20]2[c:19]([CH3:18])[c:23]([CH2:24][CH2:25][C:26](=[O:27])[N:28]3[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]3)[c:22]([CH3:35])[nH:21]2)[cH:6][cH:7]1

Participants

5

Sources & evidence

ORD record
ord-9790f76ec7dc4ff8a279c678d5dbec52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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