Hydrochloric Acid → HCID 178456305, compound

HRID 92736Notes

Reaction equation

HRID 92736 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]3[c:21]([C:29](=[O:30])[OH:31])[cH:22][n:23]([CH:26]([CH3:27])[CH3:28])[c:24]3[cH:25]2)[cH:15][cH:16]1)[CH2:32][CH:33]([O:34][CH:35]1[O:36][CH2:37][CH2:38][CH2:39][CH2:40]1)[c:41]1[cH:42][c:43]([Cl:47])[cH:44][cH:45][cH:46]1.[C:48]([n:49]1[cH:50][cH:51][n:52][cH:53]1)([n:54]1[cH:55][cH:56][n:57][cH:58]1)=[O:59].[CH3:60][S:61](=[O:62])(=[O:63])[NH2:64].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:65]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]3[c:21]([C:29](=[O:31])[NH:64][S:61]([CH3:60])(=[O:62])=[O:63])[cH:22][n:23]([CH:26]([CH3:27])[CH3:28])[c:24]3[cH:25]2)[cH:15][cH:16]1)[CH2:32][CH:33]([O:34][CH:35]1[O:36][CH2:37][CH2:38][CH2:39][CH2:40]1)[c:41]1[cH:42][c:43]([Cl:47])[cH:44][cH:45][cH:46]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 72879MethanesulfonamideHCID 693519056-[4-[2-[[2-(3-Chlorophenyl)-2-(oxan-2-yloxy)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]-1-propan-2-ylindole-3-carboxylic acid

Product 1

HCID 178456305HCID 178456305, compound

Sources & evidence

ORD record
ord-8887da0b22834bd79e971908c7e4721d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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