Trimethylsilylacetylene → 9-Chloro-2-(4-ethynyl-phenylamino)-5H,7H-benzo[b]pyrimido[4,5-d]azepin-6-one

HRID 2131443Notes

Reaction equation

HRID 2131443 reaction equation
[C:1]([Si:2]([CH3:3])([CH3:4])[CH3:5])#[CH:6].[CH3:37][O:38][c:39]1[cH:40][c:41]([NH:42][c:43]2[n:44][cH:45][c:46]3[c:59]([n:60]2)-[c:58]2[c:51]([cH:52][c:53]([C:54]#[CH:55])[cH:56][cH:57]2)[NH:50][C:48](=[O:49])[CH2:47]3)[cH:61][cH:62][c:63]1[O:64][CH3:65].[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:36]1)[NH:13][C:14](=[O:35])[CH2:15][c:16]1[c:17]-2[n:18][c:19]([NH:22][c:23]2[cH:24][cH:25][c:26]([C:29]#[C:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[cH:27][cH:28]2)[n:20][cH:21]1>>[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:36]1)[NH:13][C:14](=[O:35])[CH2:15][c:16]1[c:17]-2[n:18][c:19]([NH:22][c:23]2[cH:24][cH:25][c:26]([C:29]#[CH:30])[cH:27][cH:28]2)[n:20][cH:21]1

Participants

4

Reactant 3

HCID 66111TrimethylsilylacetyleneHCID 598515882-(3,4-Dimethoxyanilino)-9-ethynyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-oneHCID 669346909-chloro-2-(4-trimethylsilanylethynyl-phenylamino)-5H,7H-benzo[b]pyrimido[4,5-d]azepin-6-one

Product 1

HCID 598510369-Chloro-2-(4-ethynyl-phenylamino)-5H,7H-benzo[b]pyrimido[4,5-d]azepin-6-one

Sources & evidence

ORD record
ord-231f44e4fca54bb29ad67ba45d634199
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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