Acetic Acid → HCID 178443033, compound
Reaction equation
[CH2:3]([S:4][C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])[cH:10][cH:11][cH:12]1)=[NH:47])[CH3:5].[CH3:54][C:55](=[O:56])[OH:57].[CH:48]1([NH2:53])[CH2:49][CH2:50][CH2:51][CH2:52]1.[CH:58]([Cl:59])([Cl:60])[Cl:61].[ClH:1].[ClH:2]>>[C:6]([c:7]1[cH:8][c:9]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46])[cH:10][cH:11][cH:12]1)(=[NH:47])[NH:53][CH:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1Participants
6
Sources & evidence
- ORD record
- ord-ad1ab059ffa847ebacef91f28e1b7b67
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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