Hydrochloric Acid → HCID 76761869, compound

HRID 2137620Notes

Reaction equation

HRID 2137620 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[OH:20])[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[cH:29][cH:30]1)[O:24]3.[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:62][O:63][C:64]([CH:65]([CH2:66][c:67]1[cH:68][cH:69][c:70](-[c:73]2[c:74]([CH3:80])[c:75]([CH3:79])[n:76][cH:77][cH:78]2)[cH:71][cH:72]1)[NH2:81])=[O:82].[Cl:83][CH2:84][Cl:85].[ClH:60].[ClH:61].[OH:50][n:51]1[c:52]2[c:53]([cH:54][cH:55][cH:56][cH:57]2)[n:58][n:59]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH:17]1[C:18](=[O:19])[NH:81][CH:65]([C:64]([O:63][CH3:62])=[O:82])[CH2:66][c:67]1[cH:68][cH:69][c:70](-[c:73]2[c:74]([CH3:80])[c:75]([CH3:79])[n:76][cH:77][cH:78]2)[cH:71][cH:72]1)[O:21][CH2:22][CH:23]([c:25]1[cH:26][cH:27][c:28]([O:31][CH2:32][CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[cH:29][cH:30]1)[O:24]3

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 66719329HCID 66719329, compoundHCID 767616863-[4-(cyclohexylmethoxy)phenyl]-7-[(2-methylpropan-2-yl)oxycarbonyl]-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline-8-carboxylic acid

Product 1

HCID 76761869HCID 76761869, compound

Sources & evidence

ORD record
ord-f5a0856cf5bd4f979f6794b72a083389
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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