Hydrochloric Acid → HCID 21993927, compound

HRID 1544757Notes

Reaction equation

HRID 1544757 reaction equation
[CH2:2]([N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[CH3:12].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:74][C:75]#[N:76].[ClH:1].[N:63]12[CH2:64][CH2:65][CH2:66][NH:67][CH:68]1[CH2:69][CH2:70][CH2:71][CH:72]=[CH:73]2.[NH2:36][CH2:37][CH2:38][CH2:39][N:40]1[CH2:41][C:42](=[O:55])[N:43]([CH2:46][CH2:47][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[CH2:44][CH2:45]1.[OH:28][N:29]1[C:30](=[O:31])[CH2:32][CH2:33][C:34]1=[O:35].[n:13]1[cH:14][c:15]2[cH:16][c:17]([C:25](=[O:26])[OH:27])[s:18][c:19]3[cH:20][cH:21][cH:22][c:23]1[n:24]23>>[n:13]1[cH:14][c:15]2[cH:16][c:17]([C:25](=[O:27])[NH:36][CH2:37][CH2:38][CH2:39][N:40]3[CH2:41][C:42](=[O:55])[N:43]([CH2:46][CH2:47][CH2:48][c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[CH2:44][CH2:45]3)[s:18][c:19]3[cH:20][cH:21][cH:22][c:23]1[n:24]23

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 80170N-HydroxysuccinimideHCID 98128211,8-Diazabicyclo[5.4.0]undec-2-eneHCID 10943925HCID 10943925, compoundHCID 219937654-(3-Aminopropyl)-1-(3-phenylpropyl)-2-piperazinone

Product 1

HCID 21993927HCID 21993927, compound

Sources & evidence

ORD record
ord-cea2ba33c48e44d68c1526d7ec9f8701
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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