Ethanol → HCID 178487910, compound

HRID 1210076Notes

Reaction equation

HRID 1210076 reaction equation
[BH4-:44].[CH3:46][CH2:47][OH:48].[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([O:22][CH3:23])[n:9][c:10]2[c:11]1[CH2:12][CH2:13][N:14]1[CH2:15][CH:16]2[CH2:17][CH:18]([NH2:21])[CH:19]2[CH2:20]1.[Na+:24].[Na+:25].[Na+:45].[O-:26][S:27]([O-:28])(=[O:29])=[O:30].[O:31]=[C:32]1[NH:33][c:34]2[c:35]([cH:38][cH:39][c:40]([CH:42]=[O:43])[n:41]2)[S:36][CH2:37]1>>[F:1][c:2]1[cH:3][n:4][c:5]2[cH:6][cH:7][c:8]([O:22][CH3:23])[n:9][c:10]2[c:11]1[CH2:12][CH2:13][N:14]1[CH2:15][CH:16]2[CH2:17][CH:18]([NH:21][CH2:42][c:40]3[cH:39][cH:38][c:35]4[c:34]([n:41]3)[NH:33][C:32](=[O:31])[CH2:37][S:36]4)[CH:19]2[CH2:20]1

Participants

8

Sources & evidence

ORD record
ord-2596f5a1263d4fdfadd584261e991e54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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