1,2-Dichloroethane → 7-chloro-4-[2-[4-(6-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)-4-hydroxypiperidin-1-yl]-2-oxoethyl]-2-(2,2-dimethylpropyl)-1,4,5,8-tetrahydropyrrolo[2,3-i][2]benzazepin-3-one
Reaction equation
[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH2:62][CH3:63])([CH3:64])[CH3:65].[Cl:18][c:19]1[cH:20][c:21]2[c:22]([c:23]3[cH:24][cH:25][nH:26][c:27]13)[CH2:28][N:29]([CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42])[C:30](=[O:37])[CH:31]([CH2:33][C:34](=[O:35])[OH:36])[CH2:32]2.[Cl:1][c:2]1[cH:3][c:4]([C:11]2([OH:17])[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[Cl:1][c:2]1[cH:3][c:4]([C:11]2([OH:17])[CH2:12][CH2:13][N:14]([C:34]([CH2:33][CH:31]3[C:30](=[O:37])[N:29]([CH2:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:28][c:22]4[c:21]([cH:20][c:19]([Cl:18])[c:27]5[c:23]4[cH:24][cH:25][nH:26]5)[CH2:32]3)=[O:35])[CH2:15][CH2:16]2)[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-7457cd1d73874247bce3f3c7626b9f0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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