Hydrochloric Acid → HCID 58307310, compound

HRID 1209030Notes

Reaction equation

HRID 1209030 reaction equation
[CH3:44][c:45]1[s:46][c:47]([CH3:54])[c:48]([CH2:50][C:51](=[O:52])[OH:53])[n:49]1.[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:67][C:68]#[N:69].[ClH:1].[ClH:55].[N:23]12[CH2:24][CH2:25][CH2:26][N:27]=[C:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2.[NH2:2][CH2:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[C:8](=[O:13])[N:7]([CH:14]1[C:15](=[O:21])[NH:16][C:17](=[O:20])[CH2:18][CH2:19]1)[C:6]2=[O:22].[OH:34][n:35]1[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[NH:2]([CH2:3][c:4]1[c:5]2[c:9]([cH:10][cH:11][cH:12]1)[C:8](=[O:13])[N:7]([CH:14]1[C:15](=[O:21])[NH:16][C:17](=[O:20])[CH2:18][CH2:19]1)[C:6]2=[O:22])[C:51]([CH2:50][c:48]1[c:47]([CH3:54])[s:46][c:45]([CH3:44])[n:49]1)=[O:52]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 27475832,5-Dimethyl-4-thiazoleacetic acidHCID 219885264-(Aminomethyl)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

Product 1

HCID 58307310HCID 58307310, compound

Sources & evidence

ORD record
ord-83a31a7612004160968ef5dac501401b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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