1,2-Dichloroethane → HCID 178521866, compound

HRID 662641Notes

Reaction equation

HRID 662641 reaction equation
[CH2:8]([Cl:9])[CH2:10][Cl:11].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[ClH:48].[F:22][c:23]1[c:24]([CH:30]2[CH2:31][CH2:32][CH:33]([NH2:47])[c:34]3[n:35]([c:37]([C:40]4([C:43]([F:44])([F:45])[F:46])[CH2:41][CH2:42]4)[cH:38][n:39]3)[CH2:36]2)[cH:25][cH:26][cH:27][c:28]1[F:29].[O:49]=[C:50]1[NH:51][c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[C:58]12[CH2:59][c:60]1[cH:61][cH:62][c:63]([C:67](=[O:68])[OH:69])[cH:64][c:65]1[CH2:66]2.[OH:12][n:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18][cH:19]2)[n:20][n:21]1>>[F:22][c:23]1[c:24]([CH:30]2[CH2:31][CH2:32][CH:33]([NH:47][C:67]([c:63]3[cH:62][cH:61][c:60]4[c:65]([cH:64]3)[CH2:66][C:58]3([C:50](=[O:49])[NH:51][c:52]5[n:53][cH:54][cH:55][cH:56][c:57]53)[CH2:59]4)=[O:68])[c:34]3[n:35]([c:37]([C:40]4([C:43]([F:44])([F:45])[F:46])[CH2:41][CH2:42]4)[cH:38][n:39]3)[CH2:36]2)[cH:25][cH:26][cH:27][c:28]1[F:29]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 59734934(+/-)-2'-Oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-carboxylic acidHCID 675334656-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-amine

Product 1

HCID 178521866HCID 178521866, compound

Sources & evidence

ORD record
ord-3ccd7b3948fb4fe78558a58918d9188f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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