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1,2-Dichloroethane → 3-Benzyl-2-(1-cyclohexylamino-propyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

HRID 191399
Notes
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Reaction equation

HRID 191399 reaction equation
[C:5]([O:6][BH-:7]([O:8][C:9](=[O:10])[CH3:11])[O:12][C:13](=[O:14])[CH3:15])(=[O:16])[CH3:17].[CH3:1][C:2](=[O:3])[OH:4].[Cl:47][CH2:48][CH2:49][Cl:50].[NH2:19][CH:20]([CH2:21][CH3:22])[c:23]1[n:24][n:25]2[c:26]([c:27](=[O:36])[n:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[cH:37][cH:38][cH:39]2.[Na+:18].[O:40]=[C:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1>>[NH:19]([CH:20]([CH2:21][CH3:22])[c:23]1[n:24][n:25]2[c:26]([c:27](=[O:36])[n:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[cH:37][cH:38][cH:39]2)[CH:41]1[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 176Acetic AcidHCID 923Sodium IonHCID 7967CyclohexanoneHCID 2724942TriacetoxyborohydrideHCID 221799762-(1-amino-propyl)-3-benzyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Product 1

HCID 22180067
3-Benzyl-2-(1-cyclohexylamino-propyl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Sources & evidence

ORD record
ord-e94221174bb841c7a3acc4218049ebfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes