Hydrochloric Acid → Hydrochloric Acid

HRID 90677Notes

Reaction equation

HRID 90677 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH2:11][n:12]2[c:13](=[O:47])[n:14]([CH2:23][CH2:24][CH2:25][CH2:26][N:27]3[CH2:28][CH2:29][CH:30]([O:33][CH:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:31][CH2:32]3)[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[c:21]2=[O:22])[cH:8][cH:9][cH:10]1.[CH3:49][O:50][C:51]([c:52]1[cH:53][c:54]([CH2:55][n:56]2[c:57](=[O:58])[c:59]3[c:60]([cH:61][cH:62][cH:63][cH:64]3)[n:65]([CH2:66][CH2:67][CH2:68][CH2:69][N:70]3[CH2:71][CH2:72][CH:73]([O:74][CH:75]([c:76]4[cH:77][cH:78][cH:79][cH:80][cH:81]4)[c:82]4[cH:83][cH:84][cH:85][cH:86][cH:87]4)[CH2:88][CH2:89]3)[c:90]2=[O:91])[cH:92][cH:93][cH:94]1)=[O:95].[ClH:48]>>[ClH:48].[O:2]=[C:3]([OH:4])[c:5]1[cH:6][c:7]([CH2:11][n:12]2[c:13](=[O:47])[n:14]([CH2:23][CH2:24][CH2:25][CH2:26][N:27]3[CH2:28][CH2:29][CH:30]([O:33][CH:34]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[CH2:31][CH2:32]3)[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[c:21]2=[O:22])[cH:8][cH:9][cH:10]1

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 224496793-[(3-Methoxycarbonylphenyl)methyl]-2,4-dioxo-1-[4-(4-diphenylmethoxypiperidino)butyl]-1,2,3,4-tetrahydroquinazoline2×

Product 2

HCID 313Hydrochloric AcidHCID 224496853-[[1-[4-(4-Benzhydryloxypiperidin-1-yl)butyl]-2,4-dioxoquinazolin-3-yl]methyl]benzoic acid

Sources & evidence

ORD record
ord-6d6f23bc7a804e7488f066f892c34072
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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