1,2-Dichloroethane → HCID 58790352, compound

HRID 2342719Notes

Reaction equation

HRID 2342719 reaction equation
[CH2:48]([Cl:49])[CH2:50][Cl:51].[F:24][c:25]1[cH:26][c:27]([NH2:47])[cH:28][cH:29][c:30]1[O:31][c:32]1[c:33]2[c:34]([n:35][cH:36][cH:37]1)[cH:38][c:39](-[c:41]1[n:42]([CH3:46])[cH:43][cH:44][n:45]1)[s:40]2.[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[O:1]=[C:2]([CH2:3][C:4](=[O:5])[OH:6])[NH:7][c:8]1[cH:9][n:10][cH:11][cH:12][cH:13]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:14][n:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[n:22][n:23]1>>[O:1]=[C:2]([CH2:3][C:4](=[O:6])[NH:47][c:27]1[cH:26][c:25]([F:24])[c:30]([O:31][c:32]2[c:33]3[c:34]([n:35][cH:36][cH:37]2)[cH:38][c:39](-[c:41]2[n:42]([CH3:46])[cH:43][cH:44][n:45]2)[s:40]3)[cH:29][cH:28]1)[NH:7][c:8]1[cH:9][n:10][cH:11][cH:12][cH:13]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 219394713-Oxo-3-[(pyridin-3-yl)amino]propanoic acidHCID 594244803-Fluoro-4-(2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yloxy)benzenamine

Product 1

HCID 58790352HCID 58790352, compound

Sources & evidence

ORD record
ord-f08734e79c42428b92aa751afefa1201
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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