Water → HCID 12042503, compound

HRID 313920Notes

Reaction equation

[C:1]([O:2][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[nH:16][cH:17][n:18][c:19]3[n:20][cH:21][n:22]2)[CH2:12][CH2:13]1)([CH3:3])([CH3:4])[CH3:5].[CH2:55]([Cl:56])[Cl:57].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[N+:37](=[O:38])([O-:39])[c:40]1[cH:41][cH:42][c:43]([N:46]=[C:47]=[O:48])[cH:44][cH:45]1.[OH2:54].[OH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29]>>[C:6](=[O:7])([N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]3[nH:16][cH:17][n:18][c:19]3[n:20][cH:21][n:22]2)[CH2:12][CH2:13]1)[NH:46][c:43]1[cH:42][cH:41][c:40]([N+:37](=[O:38])[O-:39])[cH:45][cH:44]1

Participants

Reactant 7

HCID 962Water

HCID 6228Dimethylformamide

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 8471Triethylamine

HCID 66012Benzene, 1-isocyanato-4-nitro-

HCID 6625649tert-Butyl 4-(7H-purin-6-yl)piperazine-1-carboxylate

Product 1

HCID 12042503HCID 12042503, compound

Sources & evidence

ORD record: ord-0e16a50332334fd0ad2631d200808667
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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