1-Butanol → HCID 11284996, compound

HRID 692179Notes

Reaction equation

HRID 692179 reaction equation
[CH2:52]([OH:53])[CH2:54][CH2:55][CH3:56].[CH3:1][c:2]1[c:3]([NH:25][C:26](=[O:27])[n:28]2[cH:29][cH:30][c:31]3[c:32]2[n:33][cH:34][n:35][c:36]3[Cl:37])[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:24])[cH:6][cH:7]1.[CH3:38][C:39](=[O:40])[Cl:41].[NH2:42][c:43]1[cH:44][c:45]([C:46](=[O:47])[NH2:48])[cH:49][cH:50][cH:51]1>>[CH3:1][c:2]1[c:3]([NH:25][C:26](=[O:27])[n:28]2[cH:29][cH:30][c:31]3[c:32]2[n:33][cH:34][n:35][c:36]3[NH:42][c:43]2[cH:44][c:45]([C:46](=[O:47])[NH2:48])[cH:49][cH:50][cH:51]2)[cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]3[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]3)[cH:14][cH:15]2)=[O:24])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 16453-AminobenzamideHCID 6367Acetyl chlorideHCID 11364360HCID 11364360, compound

Product 1

HCID 11284996HCID 11284996, compound

Sources & evidence

ORD record
ord-c3e12a5e8a3d4f439e6c30d6feb19358
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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