Ethanol → HCID 178481165, compound

HRID 1134372Notes

Reaction equation

HRID 1134372 reaction equation
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([NH:16][c:17]2[c:18]([F:24])[cH:19][c:20]([I:23])[cH:21][cH:22]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[n:14]1[CH3:15])[CH3:3].[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[CH3:27][C:28]1([CH3:36])[O:29][CH2:30][CH:31]([CH2:33][O:34][NH2:35])[O:32]1.[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[CH3:72][CH2:73][OH:74].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[Na+:26].[OH-:25].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[C:4](=[O:5])([c:6]1[c:7]([NH:16][c:17]2[c:18]([F:24])[cH:19][c:20]([I:23])[cH:21][cH:22]2)[c:8]2[cH:9][n:10][cH:11][cH:12][c:13]2[n:14]1[CH3:15])[NH:35][O:34][CH2:33][CH:31]1[CH2:30][O:29][C:28]([CH3:27])([CH3:36])[O:32]1

Participants

10

Reactant 9

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamineHCID 595965873-(2-Fluoro-4-iodo-phenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid ethyl ester

Product 1

HCID 178481165HCID 178481165, compound

Sources & evidence

ORD record
ord-2e2158c95d6b4613b5062eeb147a6792
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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