1,2-Dichloroethane → 2-[6-chloro-3-[[4-(cyclopropylmethoxy)oxolan-3-yl]amino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide

HRID 102454Notes

Reaction equation

HRID 102454 reaction equation
[CH2:57]([Cl:58])[CH2:59][Cl:60].[CH3:61][OH:62].[CH:1]1([CH2:4][O:5][CH:6]2[CH2:7][O:8][CH2:9][CH:10]2[NH:11][c:12]2[c:13](=[O:23])[n:14]([CH2:19][C:20](=[O:21])[OH:22])[c:15]([Cl:18])[cH:16][n:17]2)[CH2:2][CH2:3]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[ClH:24].[ClH:25].[ClH:68].[NH2:26][CH2:27][c:28]1[cH:29][c:30]2[c:31]([Cl:37])[cH:32][nH:33][c:34]2[n:35][cH:36]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1>>[CH:1]1([CH2:4][O:5][CH:6]2[CH2:7][O:8][CH2:9][CH:10]2[NH:11][c:12]2[c:13](=[O:23])[n:14]([CH2:19][C:20](=[O:22])[NH:26][CH2:27][c:28]3[cH:29][c:30]4[c:31]([Cl:37])[cH:32][nH:33][c:34]4[n:35][cH:36]3)[c:15]([Cl:18])[cH:16][n:17]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 313Hydrochloric Acid3×HCID 887MethanolHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 12096232(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanamineHCID 700236122-[6-Chloro-3-[[4-(cyclopropylmethoxy)oxolan-3-yl]amino]-2-oxopyrazin-1-yl]acetic acid

Product 1

HCID 569884792-[6-chloro-3-[[4-(cyclopropylmethoxy)oxolan-3-yl]amino]-2-oxopyrazin-1-yl]-N-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide

Sources & evidence

ORD record
ord-bd08b8cde1204d8fb41aab081d9fc281
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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