Hydrochloric Acid → HCID 58204028, compound

HRID 2322409Notes

Reaction equation

HRID 2322409 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:29]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][c:27]2[Cl:28])[cH:14]1.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:30][CH2:31][N:32]=[C:33]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:60].[OH2:71].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1.[OH:61][CH:62]1[CH2:63][NH:64][CH2:65]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:29]1)[O:7][CH2:8][CH2:9][c:10]1[c:11]-2[s:12][c:13]([C:15](=[O:16])[N:17]([CH3:18])[c:19]2[cH:20][c:21]([C:22](=[O:23])[N:64]3[CH2:63][CH:62]([OH:61])[CH2:65]3)[cH:25][cH:26][c:27]2[Cl:28])[cH:14]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 15142903-HydroxyazetidineHCID 568343723-(8-bromo-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoic acid

Product 1

HCID 58204028HCID 58204028, compound

Sources & evidence

ORD record
ord-13eca1b0d157472bafa8e347edea1b16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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