1-Butanol → HCID 10092936, compound

HRID 175047Notes

Reaction equation

HRID 175047 reaction equation
[CH2:45]([OH:46])[CH2:47][CH2:48][CH3:49].[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:28][c:29]1[CH3:30])[NH:6][C:7](=[S:27])[CH2:8][C:9]([c:11]1[cH:12][cH:13][c:14](-[n:17]3[c:18]([CH3:26])[n:19][c:20]4[cH:21][n:22][cH:23][cH:24][c:25]34)[cH:15][cH:16]1)=[N:10]2.[NH2:32][NH2:33].[OH2:31].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:28][c:29]1[CH3:30])[N:6]=[C:7]([NH:32][NH2:33])[CH2:8][C:9]([c:11]1[cH:12][cH:13][c:14](-[n:17]3[c:18]([CH3:26])[n:19][c:20]4[cH:21][n:22][cH:23][cH:24][c:25]34)[cH:15][cH:16]1)=[N:10]2

Participants

6

Reactant 5

HCID 2631-ButanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 9321HydrazineHCID 10024618HCID 10024618, compound

Product 1

HCID 10092936HCID 10092936, compound

Sources & evidence

ORD record
ord-64888cd5d23843a39f6f692d27f3b2b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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