Acetate → HCID 18668650, compound
Reaction equation
[CH3:58][C:59](=[O:60])[O-:61].[Cl-:62].[Na+:57].[OH:63][NH3+:64].[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)=[N:14][c:15]2[cH:16][cH:17][c:18]([C:28]([CH:29]([CH3:30])[CH3:31])([OH:32])[c:33]3[n:34][cH:35][n:36]([C:38]([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:37]3)[cH:19][c:20]2-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[NH2:14][c:15]1[cH:16][cH:17][c:18]([C:28]([CH:29]([CH3:30])[CH3:31])([OH:32])[c:33]2[n:34][cH:35][n:36]([C:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[cH:37]2)[cH:19][c:20]1-[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1Participants
6
Sources & evidence
- ORD record
- ord-3690e3f95743476e8e797a56b1f2e19f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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