1,2-Dichloroethane → 7-Chloro-2-(2,2-dimethylpropyl)-4-[2-oxo-2-[4-(5-oxo-1,4-dihydropyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]ethyl]-1,4,5,8-tetrahydropyrrolo[2,3-i][2]benzazepin-3-one
Reaction equation
[CH2:42]([Cl:43])[CH2:44][Cl:45].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[Cl:17][c:18]1[cH:19][c:20]2[c:21]([c:22]3[cH:23][cH:24][nH:25][c:26]13)[CH2:27][N:28]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[C:29](=[O:36])[CH:30]([CH2:32][C:33](=[O:34])[OH:35])[CH2:31]2.[NH:1]1[CH2:2][CH2:3][CH:4]([c:7]2[cH:8][c:9]3[c:10]([nH:11][c:12]2=[O:13])[cH:14][cH:15][nH:16]3)[CH2:5][CH2:6]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:46][n:47]1[c:48]2[c:49]([cH:50][cH:51][cH:52][cH:53]2)[n:54][n:55]1>>[N:1]1([C:33]([CH2:32][CH:30]2[C:29](=[O:36])[N:28]([CH2:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:27][c:21]3[c:20]([cH:19][c:18]([Cl:17])[c:26]4[c:22]3[cH:23][cH:24][nH:25]4)[CH2:31]2)=[O:34])[CH2:2][CH2:3][CH:4]([c:7]2[cH:8][c:9]3[c:10]([nH:11][c:12]2=[O:13])[cH:14][cH:15][nH:16]3)[CH2:5][CH2:6]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-d91c09afb6f240d9a73efc97b3c5080a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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