Toluene → HCID 178455539, compound

HRID 2338770Notes

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 661742-Amino-5-chloropyridine

HCID 16682925Trimethylaluminum

HCID 57504644Methyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanoate

Product 1

HCID 178455539HCID 178455539, compound

Sources & evidence

ORD record: ord-60cd41437e344da19942b6ab4419896a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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