Hydrochloric Acid → 2-[4-[2-[[3-(1-Amino-3-ethoxy-3-oxopropyl)phenyl]carbamoyloxy]ethyl]-3-methylphenyl]-2-[[1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]isoquinolin-6-yl]amino]acetic acid
Reaction equation
[CH2:1]([O:2][C:3](=[O:4])[NH:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:67])[cH:33][c:34]([CH:37]([C:38](=[O:39])[OH:40])[NH:41][c:42]3[cH:43][c:44]4[cH:45][cH:46][n:47][c:48]([N:52]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[c:49]4[cH:50][cH:51]3)[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:68][OH:69].[ClH:70]>>[NH2:11][CH:12]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]1[cH:20][c:21]([NH:25][C:26](=[O:27])[O:28][CH2:29][CH2:30][c:31]2[c:32]([CH3:67])[cH:33][c:34]([CH:37]([C:38](=[O:39])[OH:40])[NH:41][c:42]3[cH:43][c:44]4[cH:45][cH:46][n:47][c:48]([N:52]([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[c:49]4[cH:50][cH:51]3)[cH:35][cH:36]2)[cH:22][cH:23][cH:24]1Participants
4
Sources & evidence
- ORD record
- ord-990d9c53d5cd4c2495fd87855d62978d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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