1-Butanol → HCID 11296729, compound

HRID 2331043Notes

Reaction equation

[CH2:53]([OH:54])[CH2:55][CH2:56][CH3:57].[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]([S:49](=[O:50])(=[O:51])[NH2:52])[cH:46][cH:47][cH:48]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]([S:49](=[O:50])(=[O:51])[NH2:52])[cH:46][cH:47][cH:48]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

Reactant 4

HCID 2631-Butanol

HCID 6367Acetyl chloride

HCID 7377Benzenesulfonamide, 3-amino-

HCID 11364360HCID 11364360, compound

Product 1

HCID 11296729HCID 11296729, compound

Sources & evidence

ORD record: ord-fbe952aba57b4710b227caa0786b2d48
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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