Water → HCID 10303804, compound

HRID 1143712Notes

Reaction equation

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1.[OH2:42].[s:36]1[c:37](=[S:41])[nH:38][cH:39][cH:40]1>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]([C:9]([c:10]2[cH:11][c:12]3[c:13](-[c:22]4[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]4)[cH:14][c:15](=[O:21])[n:16]([CH3:20])[c:17]3[cH:18][cH:19]2)([c:29]2[cH:30][n:31][cH:32][n:33]2[CH3:34])[OH:35])[cH:7][cH:8]1)[S:41][c:37]1[s:36][cH:40][cH:39][n:38]1

Participants

Reactant 5

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 8471Triethylamine

HCID 12013872-Mercaptothiazole

HCID 21082106(+/-)-6-[[4-(chloromethyl)phenyl]hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-4(3-chlorophenyl)-1-methyl-2(1H)-quinolinone

Product 1

HCID 10303804HCID 10303804, compound

Sources & evidence

ORD record: ord-d434708e95c345dc8963fa359eccb42a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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