Ethanol → HCID 178460053, compound

HRID 1141745Notes

Reaction equation

[CH3:80][CH2:81][OH:82].[Cl:1][c:2]1[n:3][c:4]([NH:23][CH:24]2[CH2:25][N:26]([c:29]3[n:30][c:31]([NH:50][CH2:51][CH:52]([c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)[c:32]4[n:33][cH:34][n:35]([CH:38]5[CH:39]([OH:49])[CH:40]([OH:48])[CH:41]([NH:43][C:44]([CH2:45][CH3:46])=[O:47])[CH2:42]5)[c:36]4[n:37]3)[CH2:27][CH2:28]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:22])[CH:13]([OH:21])[CH:14]([NH:16][C:17]([CH2:18][CH3:19])=[O:20])[CH2:15]3)[c:9]2[n:10]1.[n:65]1[cH:66][c:67]([NH:71][C:72](=[O:73])[NH:74][CH:75]2[CH2:76][NH:77][CH2:78][CH2:79]2)[cH:68][cH:69][cH:70]1>>[c:2]1([N:77]2[CH2:76][CH:75]([NH:74][C:72]([NH:71][c:67]3[cH:66][n:65][cH:70][cH:69][cH:68]3)=[O:73])[CH2:79][CH2:78]2)[n:3][c:4]([NH:23][CH:24]2[CH2:25][N:26]([c:29]3[n:30][c:31]([NH:50][CH2:51][CH:52]([c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)[c:32]4[n:33][cH:34][n:35]([CH:38]5[CH:39]([OH:49])[CH:40]([OH:48])[CH:41]([NH:43][C:44]([CH2:45][CH3:46])=[O:47])[CH2:42]5)[c:36]4[n:37]3)[CH2:27][CH2:28]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([OH:22])[CH:13]([OH:21])[CH:14]([NH:16][C:17]([CH2:18][CH3:19])=[O:20])[CH2:15]3)[c:9]2[n:10]1

Participants

Reactant 3

HCID 702Ethanol

HCID 66629850HCID 66629850, compound

HCID 178460051HCID 178460051, compound

Product 1

HCID 178460053HCID 178460053, compound

Sources & evidence

ORD record: ord-a22a78f3e88e44dcb10df60b4f1923b8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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