Acetate → HCID 178471332, compound
Reaction equation
[C:58]([BH3-:59])#[N:60].[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[O:38][C:39](=[O:40])[N:41]1[CH2:42][CH2:43][CH:44]([CH2:47][CH2:48][CH2:49][CH2:50][C:51]([C:52](=[O:53])[O:54][CH2:55][CH3:56])=[O:57])[CH2:45][CH2:46]1.[CH3:27][C:28](=[O:29])[O-:30].[CH3:62][CH2:63][OH:64].[CH3:65][C:66](=[O:67])[OH:68].[ClH:1].[NH2:2][CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:22][cH:23][cH:24][cH:25]2)[N:8]([CH2:11][C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10].[Na+:26].[Na+:61]>>[NH:2]([CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:22][cH:23][cH:24][cH:25]2)[N:8]([CH2:11][C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10])[CH:51]([CH2:50][CH2:49][CH2:48][CH2:47][CH:44]1[CH2:43][CH2:42][N:41]([C:39]([O:38][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:40])[CH2:46][CH2:45]1)[C:52](=[O:53])[O:54][CH2:55][CH3:56]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-a5a7229c146a473ab5cce39a2c8eb005
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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