Ethanol → HCID 22239902, compound

HRID 2319761Notes

Reaction equation

HRID 2319761 reaction equation
[CH3:36][CH2:37][OH:38].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH:30]1([NH2:35])[CH2:31][CH2:32][CH2:33][CH2:34]1.[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][S:22][c:23]4[c:24]([F:29])[cH:25][cH:26][cH:27][cH:28]4)[CH:14]4[O:15][C:16]([CH3:19])([CH3:20])[O:17][CH:18]34)[c:7]2[n:8][cH:9][n:10]1>>[c:2]1([NH:35][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34]2)[c:3]2[n:4][cH:5][n:6]([CH:11]3[O:12][CH:13]([CH2:21][S:22][c:23]4[c:24]([F:29])[cH:25][cH:26][cH:27][cH:28]4)[CH:14]4[O:15][C:16]([CH3:19])([CH3:20])[O:17][CH:18]34)[c:7]2[n:8][cH:9][n:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 2906CyclopentylamineHCID 8471TriethylamineHCID 178431279HCID 178431279, compound

Product 1

HCID 22239902HCID 22239902, compound

Sources & evidence

ORD record
ord-141b8021dc1a4946965dfc4d708457ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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