1,2-Dichloroethane → HCID 10118434, compound

HRID 679037Notes

Reaction equation

HRID 679037 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[C:58](=[O:59])([OH:60])[O-:61].[CH3:40][C:41](=[O:42])[OH:43].[Cl:63][CH2:64][CH2:65][Cl:66].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][c:15]3[NH:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:21]2-[c:22]2[n:23][c:24]([NH:28][CH2:29][CH2:30][CH2:31][CH3:32])[n:25][cH:26][cH:27]2)[cH:6][cH:7]1.[Na+:57].[Na+:62].[O:33]=[C:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][cH:14][c:15]3[NH:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:21]2-[c:22]2[n:23][c:24]([NH:28][CH2:29][CH2:30][CH2:31][CH3:32])[n:25][cH:26][cH:27]2)[cH:6][cH:7]1)[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 7967CyclohexanoneHCID 2724942TriacetoxyborohydrideHCID 10113479N-{4-[2-(4-aminophenyl)-7-(butylamino)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl}-N-butylamine

Product 1

HCID 10118434HCID 10118434, compound

Sources & evidence

ORD record
ord-d48ac3b2389942bb9c07da926b57171d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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