Benzylethanolamine → HCID 178521325, compound

HRID 105442Notes

Reaction equation

HRID 105442 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH2:9][CH2:10][OH:11].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cl:12][c:13]1[cH:14][c:15]2[c:16]([nH:17][c:18]([C:20](=[O:21])[NH:22][CH:23]3[CH:24]([NH:32][C:33]([CH2:34][Cl:35])=[O:36])[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[CH2:31]3)[cH:19]2)[s:37]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH2:9][CH2:10][OH:11])[CH2:34][C:33]([NH:32][CH:24]1[CH:23]([NH:22][C:20]([c:18]2[nH:17][c:16]3[c:15]([cH:14][c:13]([Cl:12])[s:37]3)[cH:19]2)=[O:21])[CH2:31][c:30]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2)=[O:36]

Participants

5

Reactant 4

HCID 4348BenzylethanolamineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 178520792HCID 178520792, compound

Product 1

HCID 178521325HCID 178521325, compound

Sources & evidence

ORD record
ord-8a68eb71ee9149b99fecb1835e2ea7d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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