Ammonium → HCID 86691222, compound

HRID 2321520Notes

Reaction equation

HRID 2321520 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([N+:31]([O-:32])=[O:33])[c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:20][cH:21]2)[n:12][cH:13][n:14]1)[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][OH:49].[Cl-:41].[NH4+:42].[OH2:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([c:9]1[c:10]([NH2:31])[c:11]([NH:15][c:16]2[cH:17][cH:18][c:19]([N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:20][cH:21]2)[n:12][cH:13][n:14]1)[CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 86761990Tert-butyl 4-(6-(dibenzylamino)-5-nitropyrimidin-4-ylamino)phenyl(methyl)carbamate

Product 1

HCID 86691222HCID 86691222, compound

Sources & evidence

ORD record
ord-ab5117e2bc1f4ea8a1e3e8d82b2cf798
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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