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Acetonitrile → HCID 178450021, compound

HRID 1126621
Notes
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Reaction equation

HRID 1126621 reaction equation
[C:38]([CH3:39])([CH3:40])([CH3:41])[O:42][CH:43]1[CH2:44][CH:45]2[CH2:46][NH:47][CH2:48][CH2:49][N:50]2[CH2:51]1.[CH3:52][C:53]#[N:54].[Cl:21][c:22]1[cH:23][cH:24][c:25]2[c:36]([cH:37]1)[NH:35][C:33](=[O:34])[c:32]1[c:27]([cH:28][cH:29][cH:30][cH:31]1)[O:26]2.[Cl:4][c:5]1[cH:6][c:7]2[c:8]([cH:19][cH:20]1)[S:9][c:10]1[c:11]([cH:15][cH:16][cH:17][cH:18]1)[C:12](=[O:14])[NH:13]2.[NH:1]([Cl:2])[Cl:3]>>[Cl:4][c:5]1[cH:6][c:7]2[c:8]([cH:19][cH:20]1)[S:9][c:10]1[c:11]([cH:15][cH:16][cH:17][cH:18]1)[C:12]([N:47]1[CH2:46][CH:45]3[CH2:44][CH:43]([O:42][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:51][N:50]3[CH2:49][CH2:48]1)=[N:13]2
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 766192-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-oneHCID 76939ChlorimideHCID 8271058-chlorodibenzo[b,f][1,4]thiazepin-11(10H)-oneHCID 178450022HCID 178450022, compound

Product 1

HCID 178450021HCID 178450021, compound

Sources & evidence

ORD record
ord-d0927d48d7c541c490ea9da43ff6a915
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes