Chloroacetic Acid → HCID 69177920, compound
Reaction equation
[CH3:39][NH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[NH2:47].[CH3:64][C:65]#[N:66].[CH:53]([N:54]([CH:55]([CH3:56])[CH3:57])[CH2:58][CH3:59])([CH3:60])[CH3:61].[Cl:27][CH2:28][c:29]1[n:30][c:31]2[c:32]([n:33]1[CH3:34])[cH:35][cH:36][cH:37][cH:38]2.[I-:63].[K+:62].[OH:48][C:49]([CH2:50][Cl:51])=[O:52].[n:1]1[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH:9]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[C:24]1=[O:25])[CH2:8][CH2:7][CH2:6]2>>[n:1]1[cH:2][cH:3][cH:4][c:5]2[c:10]1[CH:9]([N:11]([CH2:12][CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[C:24]1=[O:25])[CH2:28][c:29]1[n:30][c:31]3[c:32]([n:33]1[CH3:34])[cH:35][cH:36][cH:37][cH:38]3)[CH2:8][CH2:7][CH2:6]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-4947df7613694e8d8b4c271c8d8832a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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