Bromide ion → 5-benzyloxy-3-[1-tert-butoxycarbonyl-5-(2-chloro-ethoxy)-1H-indol-2-yl]indazole-1-carboxylic acid tert-butyl ester
Reaction equation
[Br-:51].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10](-[c:25]2[n:26]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:27]3[cH:28][cH:29][c:30]([OH:34])[cH:31][c:32]3[cH:33]2)[c:11]2[cH:12][c:13]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:14][cH:15][c:16]12.[CH3:52][CH2:53][CH2:54][CH2:55][N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68].[Cl:42][CH2:43][CH2:44][Br:45].[Cl:48][CH2:49][Cl:50].[Na+:47].[OH-:46].[OH2:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[n:9][c:10](-[c:25]2[n:26]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[c:27]3[cH:28][cH:29][c:30]([O:34][CH2:44][CH2:43][Cl:42])[cH:31][c:32]3[cH:33]2)[c:11]2[cH:12][c:13]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:14][cH:15][c:16]12Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-11b5831dad7d4b3c9e00774dcc85d72e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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