Diethylethanolamine → HCID 68679178, compound

HRID 673520Notes

Reaction equation

HRID 673520 reaction equation
[CH2:33]([CH3:34])[N:35]([CH2:36][CH2:37][OH:38])[CH2:39][CH3:40].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[N:16]3[CH:17]([C:27](=[O:28])[O:29][CH3:30])[c:18]4[cH:19][cH:20][c:21]([OH:26])[cH:22][c:23]4[CH2:24][CH2:25]3)[cH:11][cH:12]2)[cH:31][cH:32]1.[F:41][c:42]1[cH:43][cH:44][c:45]([O:46][c:47]2[cH:48][cH:49][c:50]([S:51]([N:52]3[CH2:53][CH2:54][c:55]4[c:56]([cH:57][cH:58][c:59]([O:60][CH2:61][CH2:62][CH2:63][N:64]5[CH2:65][CH2:66][N:67]([CH3:68])[CH2:69][CH2:70]5)[cH:71]4)[CH:72]3[C:73]([O:74][CH3:75])=[O:76])(=[O:77])=[O:78])[cH:79][cH:80]2)[cH:81][cH:82]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[N:16]3[CH:17]([C:27](=[O:28])[O:29][CH3:30])[c:18]4[cH:19][cH:20][c:21]([O:26][CH2:37][CH2:36][N:35]([CH2:33][CH3:34])[CH2:39][CH3:40])[cH:22][c:23]4[CH2:24][CH2:25]3)[cH:11][cH:12]2)[cH:31][cH:32]1

Participants

4

Reactant 3

HCID 7497DiethylethanolamineHCID 68679430HCID 68679430, compoundHCID 68679822Methyl 2-[4-(4-fluorophenoxy)benzenesulfonyl]-6-hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylate

Product 1

HCID 68679178HCID 68679178, compound

Sources & evidence

ORD record
ord-9d6b796e79f8463a939a2f644d7532a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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