2-Chlorobenzoic Acid → HCID 19024450, 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][CH2:26][CH3:27])[N:28]([C:29](=[O:30])[N:31]1[CH2:32][CH2:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]21)[CH2:41][c:42]1[cH:43][cH:44][c:45](-[c:48]2[c:49]([S:54]([NH2:55])(=[O:56])=[O:57])[cH:50][cH:51][cH:52][cH:53]2)[cH:46][cH:47]1.[CH2:58]1[CH2:59][CH2:60][C:61]2=[N:66][CH2:65][CH2:64][CH2:63][N:62]2[CH2:67][CH2:68]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:55][S:54]([c:49]1[c:48](-[c:45]2[cH:44][cH:43][c:42]([CH2:41][N:28]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[C:29](=[O:30])[N:31]3[CH2:32][CH2:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][c:40]43)[cH:47][cH:46]2)[cH:53][cH:52][cH:51][cH:50]1)(=[O:56])=[O:57]Participants
5
Sources & evidence
- ORD record
- ord-c94586b1fd634679a960b4d97d5fbbff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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