Hydrochloric Acid → HCID 178485648, compound

HRID 282093Notes

Reaction equation

HRID 282093 reaction equation
[CH2:69]([Cl:70])[Cl:71].[CH3:35][N:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH3:45].[CH3:46][NH:47][C:48]([CH:49]([CH2:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[NH:57][CH3:58])=[O:59].[CH:60]([N:61]([CH:62]([CH3:63])[CH3:64])[CH2:65][CH3:66])([CH3:67])[CH3:68].[ClH:34].[OH:24][n:25]1[c:26]2[n:27][cH:28][cH:29][cH:30][c:31]2[n:32][n:33]1.[s:1]1[c:2]2[c:3]([c:4]([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[N:11]([CH3:12])[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:5]1)[cH:20][cH:21][cH:22][cH:23]2>>[s:1]1[c:2]2[c:3]([c:4]([CH2:6][CH:7]([C:8](=[O:9])[N:57]([CH:49]([C:48]([NH:47][CH3:46])=[O:59])[CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH3:58])[N:11]([CH3:12])[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:5]1)[cH:20][cH:21][cH:22][cH:23]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 208272673-(1-Benzothiophen-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acidHCID 22326993N-Methyl-2-methylamino-3-phenylpropionamide

Product 1

HCID 178485648HCID 178485648, compound

Sources & evidence

ORD record
ord-b264acc2ea5b4e65a01204ac0ef7f574
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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