Benzene → HCID 18544118, compound

HRID 1122520Notes

Reaction equation

HRID 1122520 reaction equation
[CH2:43]([CH2:44][CH2:45][CH3:46])[NH2:47].[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]2[c:22]([S:27](=[O:28])(=[O:29])[NH:30][C:31]([O:33][c:32]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)=[O:39])[cH:23][cH:24][cH:25][cH:26]2)[cH:40][cH:41][cH:42]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[cH:1]1[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[CH2:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:20][c:21]2[c:22]([S:27](=[O:28])(=[O:29])[NH:30][C:31](=[O:33])[NH:47][CH2:43][CH2:44][CH2:45][CH3:46])[cH:23][cH:24][cH:25][cH:26]2)[cH:40][cH:41][cH:42]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 8007ButylamineHCID 8857Ethyl AcetateHCID 18544111HCID 18544111, compound

Product 1

HCID 18544118HCID 18544118, compound

Sources & evidence

ORD record
ord-954adf9c833740eab0f5c03f1ed947f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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