Hydrochloric Acid → HCID 57905314, compound

HRID 119533Notes

Reaction equation

HRID 119533 reaction equation
[CH3:67][CH2:68][O-:69].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:71][CH2:72][Cl:73].[ClH:70].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:13]([c:32](=[O:35])[c:33]2[OH:34])[CH2:14][CH:15]2[CH2:16][CH2:17][C:18]3([NH:21][C:22]([C:23]([N:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)=[O:30])=[O:31])[CH2:19][CH2:20]2)[cH:36][cH:37]1.[Na+:66].[O:47]1[CH2:48][CH2:49][N:50]([S:53](=[O:54])(=[O:55])[c:56]2[cH:57][cH:58][c:59]([S:62](=[O:63])(=[O:64])[Cl:65])[cH:60][cH:61]2)[CH2:51][CH2:52]1.[OH2:74]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:13]([c:32](=[O:35])[c:33]2[OH:34])[CH2:14][CH:15]2[CH2:16][CH2:17][C:18]3([NH:21][C:22]([C:23]([N:24]3[CH2:25][CH2:26][N:27]([S:62]([c:59]4[cH:58][cH:57][c:56]([S:53]([N:50]5[CH2:49][CH2:48][O:47][CH2:52][CH2:51]5)(=[O:54])=[O:55])[cH:61][cH:60]4)(=[O:63])=[O:64])[CH2:28][CH2:29]3)=[O:30])=[O:31])[CH2:19][CH2:20]2)[cH:36][cH:37]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 1194401-Hydroxyethyl radicalHCID 27797904-(Morpholine-4-sulfonyl)benzene-1-sulfonyl chlorideHCID 57904939N-(4-Fluorobenzyl)-3-hydroxy-4-oxo-10-((oxo(1-piperazinyl)acetyl)amino)-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

Product 1

HCID 57905314HCID 57905314, compound

Sources & evidence

ORD record
ord-f3390539a7c84234ab27301767e52ff3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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