Diclofenac → HCID 53683600, compound

HRID 2161400Notes

Reaction equation

[CH:53]1([N:54]=[C:55]=[N:56][CH:57]2[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]2)[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Cl:34][c:35]1[c:36]([NH:42][c:43]2[c:44]([CH2:49][C:50](=[O:51])[OH:52])[cH:45][cH:46][cH:47][cH:48]2)[c:37]([Cl:41])[cH:38][cH:39][cH:40]1.[NH2:1][c:2]1[c:3]([Br:33])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][OH:20])[CH2:16][CH2:17]2)[cH:21][c:22]1[CH2:23][N:24]([CH2:25][CH3:26])[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1>>[NH2:1][c:2]1[c:3]([Br:33])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH2:18][CH2:19][O:20][C:50]([CH2:49][c:44]3[c:43]([NH:42][c:36]4[c:35]([Cl:34])[cH:40][cH:39][cH:38][c:37]4[Cl:41])[cH:48][cH:47][cH:46][cH:45]3)=[O:51])[CH2:16][CH2:17]2)[cH:21][c:22]1[CH2:23][N:24]([CH2:25][CH3:26])[CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]1

Participants

Reactant 3

HCID 3033Diclofenac

HCID 10868Dicyclohexylcarbodiimide

HCID 20516060HCID 20516060, compound

Product 1

HCID 53683600HCID 53683600, compound

Sources & evidence

ORD record: ord-3b1c28d396f84b2494c41ed96307e5a2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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