Hydrochloric Acid → 1-({1-[2-(Bicyclo[3.1.0]hex-3-yloxycarbonylamino)-3,3-dimethyl-butyryl]-4-[8-chloro-2-(2-isopropylamino-thiazol-4-yl)-7-(2-morpholin-4-yl-ethoxy)-quinolin-4-yloxy]-pyrrolidine-2-carbonyl}-amino)-2-ethyl-cyclopropanecarboxylic acid
Reaction equation
[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:1][O:2][C:3](=[O:4])[C:5]1([NH:10][C:11](=[O:12])[CH:13]2[N:14]([C:48]([CH:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[NH:54][C:55](=[O:56])[O:57][CH:58]3[CH2:59][CH:60]4[CH2:61][CH:62]4[CH2:63]3)=[O:64])[CH2:15][CH:16]([O:18][c:19]3[cH:20][c:21](-[c:39]4[n:40][c:41]([NH:44][CH:45]([CH3:46])[CH3:47])[s:42][cH:43]4)[n:22][c:23]4[c:24]([Cl:38])[c:25]([O:29][CH2:30][CH2:31][N:32]5[CH2:33][CH2:34][O:35][CH2:36][CH2:37]5)[cH:26][cH:27][c:28]34)[CH2:17]2)[CH:6]([CH2:8][CH3:9])[CH2:7]1.[CH3:67][OH:68].[ClH:69].[Li+:66].[OH-:65].[OH2:75]>>[O:2]=[C:3]([OH:4])[C:5]1([NH:10][C:11](=[O:12])[CH:13]2[N:14]([C:48]([CH:49]([C:50]([CH3:51])([CH3:52])[CH3:53])[NH:54][C:55](=[O:56])[O:57][CH:58]3[CH2:59][CH:60]4[CH2:61][CH:62]4[CH2:63]3)=[O:64])[CH2:15][CH:16]([O:18][c:19]3[cH:20][c:21](-[c:39]4[n:40][c:41]([NH:44][CH:45]([CH3:46])[CH3:47])[s:42][cH:43]4)[n:22][c:23]4[c:24]([Cl:38])[c:25]([O:29][CH2:30][CH2:31][N:32]5[CH2:33][CH2:34][O:35][CH2:36][CH2:37]5)[cH:26][cH:27][c:28]34)[CH2:17]2)[CH:6]([CH2:8][CH3:9])[CH2:7]1Participants
8
Reactant 7
HCID 313Hydrochloric Acid
HCID 887Methanol
HCID 961Hydroxide
HCID 962Water
HCID 8028Tetrahydrofuran
HCID 28486Lithium ion
HCID 766051261-({1-[2-(Bicyclo[3.1.0]hex-3-yloxycarbonylamino)-3,3-dimethylbutyryl]-4-[8-chloro-2-(2-isopropylaminothiazol-4-yl)-7-(2-morpholin-4-yl-ethoxy)quinolin-4-yloxy]pyrrolidine-2-carbonyl}-amino)-2-ethyl-cyclopropanecarboxylic acid methyl esterProduct 1
Sources & evidence
- ORD record
- ord-0f6e8f56e8714137b5e00aaef541311f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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