Hydrochloric Acid → (+/-)-2-[4-(3-Amino-4-cyano-benzyl)-3-methoxycarbonyl-5-oxo-piperazin-1-ylmethyl]-5-chloro-indole-1-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:18][N:19]2[CH2:20][CH:21]([C:49](=[O:50])[O:51][CH3:52])[N:22]([CH2:26][c:27]3[cH:28][c:29]([N:35]=[C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:30]([C:33]#[N:34])[cH:31][cH:32]3)[C:23](=[O:25])[CH2:24]2)[cH:10][c:11]2[cH:12][c:13]([Cl:17])[cH:14][cH:15][c:16]12.[CH3:54][OH:55].[ClH:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH2:18][N:19]2[CH2:20][CH:21]([C:49](=[O:50])[O:51][CH3:52])[N:22]([CH2:26][c:27]3[cH:28][c:29]([NH2:35])[c:30]([C:33]#[N:34])[cH:31][cH:32]3)[C:23](=[O:25])[CH2:24]2)[cH:10][c:11]2[cH:12][c:13]([Cl:17])[cH:14][cH:15][c:16]12Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-4e76d3c222b144538e16cc72faaa2c39
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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