Hydrochloric Acid → 2-[N-[4-(1-tert-Butoxycarbonylpiperidin-4-yloxy)phenyl]-N-(4-methoxycarbonyl-benzoyl)aminomethyl]-5-cyano-1-(4-benzyloxyphenylcarbamoylmethyl)-benzimidazole
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([N:21]([C:22]([c:23]3[cH:24][cH:25][c:26]([C:29](=[O:30])[O:31][CH3:32])[cH:27][cH:28]3)=[O:33])[CH2:34][c:35]3[n:36][c:37]4[c:38]([n:39]3[CH2:40][C:41](=[O:42])[OH:43])[cH:44][cH:45][c:46]([C:48]#[N:49])[cH:47]4)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH2:62]([c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[O:69][c:70]1[cH:71][cH:72][c:73]([NH2:74])[cH:75][cH:76]1.[CH3:78][N:79]([CH3:80])[CH2:81][CH2:82][CH2:83][N:84]=[C:85]=[N:86][CH2:87][CH3:88].[CH3:89][N:90]1[CH2:91][CH2:92][O:93][CH2:94][CH2:95]1.[ClH:61].[ClH:77].[OH2:50].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][cH:17][c:18]([N:21]([C:22]([c:23]3[cH:24][cH:25][c:26]([C:29](=[O:30])[O:31][CH3:32])[cH:27][cH:28]3)=[O:33])[CH2:34][c:35]3[n:36][c:37]4[c:38]([n:39]3[CH2:40][C:41](=[O:42])[NH:74][c:73]3[cH:72][cH:71][c:70]([O:69][CH2:62][c:63]5[cH:64][cH:65][cH:66][cH:67][cH:68]5)[cH:76][cH:75]3)[cH:44][cH:45][c:46]([C:48]#[N:49])[cH:47]4)[cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
8
Reactant 7
HCID 313Hydrochloric Acid2×
HCID 962Water
HCID 79724-Methylmorpholine
HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 228604-Benzyloxyaniline
HCID 757711-Hydroxybenzotriazole
HCID 185364772-[N-[4-(1-tert-Butoxycarbonylpiperidin-4-yloxy)phenyl]-N-(4-methoxycarbonylbenzoyl)aminomethyl]-5-cyanobenzimidazole-1-acetic acidProduct 1
Sources & evidence
- ORD record
- ord-ebde7605ee4e493cbfa9abece1420e85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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