2-Chlorobenzoic Acid → HCID 19024437, compound
Reaction equation
[C:11]([n:12]1[cH:13][cH:14][n:15][cH:16]1)([n:17]1[cH:18][cH:19][n:20][cH:21]1)=[O:22].[CH2:23]([CH2:24][CH2:25][CH3:26])[N:27]([C:28](=[O:29])[N:30]1[CH2:31][CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]21)[CH2:40][c:41]1[cH:42][cH:43][c:44](-[c:47]2[c:48]([S:53]([NH2:54])(=[O:55])=[O:56])[cH:49][cH:50][cH:51][cH:52]2)[cH:45][cH:46]1.[CH2:57]1[CH2:58][CH2:59][C:60]2=[N:65][CH2:64][CH2:63][CH2:62][N:61]2[CH2:66][CH2:67]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[Cl:10]>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][c:9]1[Cl:10])[NH:54][S:53]([c:48]1[c:47](-[c:44]2[cH:43][cH:42][c:41]([CH2:40][N:27]([CH2:23][CH2:24][CH2:25][CH3:26])[C:28](=[O:29])[N:30]3[CH2:31][CH2:32][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]43)[cH:46][cH:45]2)[cH:52][cH:51][cH:50][cH:49]1)(=[O:55])=[O:56]Participants
5
Sources & evidence
- ORD record
- ord-4f79534c32bb4197a68fb0ea69d2451a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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