Ethanol → HCID 22111010, compound

HRID 1230230Notes

Reaction equation

HRID 1230230 reaction equation
[CH3:47][CH2:48][OH:49].[H:45][H:46].[NH2:1][c:2]1[c:3]([CH3:44])[c:4]([CH3:43])[c:5]2[c:6]([c:41]1[CH3:42])[CH2:7][C:8]([CH3:10])([CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([N:18]([CH2:19][CH2:20][CH:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:16][CH2:17]1)[O:9]2>>[NH2:1][c:2]1[c:3]([CH3:44])[c:4]([CH3:43])[c:5]2[c:6]([c:41]1[CH3:42])[CH2:7][C:8]([CH3:10])([CH2:11][N:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][CH2:20][CH:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:16][CH2:17]1)[O:9]2

Participants

4

Reactant 3

HCID 702EthanolHCID 22111033HCID 22111033, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 22111010HCID 22111010, compound

Sources & evidence

ORD record
ord-c387c57d2d3b4d7aad293a63050cefce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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