1,2-Dichloroethane → HCID 178521716, compound

HRID 294910Notes

Reaction equation

HRID 294910 reaction equation
[CH2:59]([Cl:60])[CH2:61][Cl:62].[NH2:1][CH:2]1[CH2:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]3[cH:11][cH:12]2)[CH2:13][N:14]([CH2:17][c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[C:15]1=[O:16].[O:28]=[C:29]1[NH:30][c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[C:37]12[CH2:38][c:39]1[c:40]([cH:41][n:42][c:43]([C:45](=[O:46])[OH:47])[cH:44]1)[CH2:48]2.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1>>[NH:1]([CH:2]1[CH2:3][c:4]2[c:5]([c:6]3[cH:7][n:8][nH:9][c:10]3[cH:11][cH:12]2)[CH2:13][N:14]([CH2:17][c:18]2[cH:19][cH:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]2)[C:15]1=[O:16])[C:45]([c:43]1[n:42][cH:41][c:40]2[c:39]([cH:44]1)[CH2:38][C:37]1([C:29](=[O:28])[NH:30][c:31]3[n:32][cH:33][cH:34][cH:35][c:36]31)[CH2:48]2)=[O:46]

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 57974027(+/-)-2'-Oxo-1',2',5,7-tetrahydrospiro[cyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-3-carboxylic acidHCID 672031987-Amino-9-[[4-(trifluoromethyl)phenyl]methyl]-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-8-one

Product 1

HCID 178521716HCID 178521716, compound

Sources & evidence

ORD record
ord-a4dc9ee10c52408399ae4f3e7447429a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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