Hydrochloric Acid → HCID 578367, compound

HRID 2152792Notes

Reaction equation

HRID 2152792 reaction equation
[CH3:69][O:70][c:71]1[cH:72][cH:73][c:74]([CH2:75][Cl:76])[cH:77][cH:78]1.[ClH:61].[N+:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][C:8]([N:9]2[CH2:10][CH:11]([SH:12])[CH2:13][CH:14]2[C:15]([N:16]2[CH2:17][CH2:18][N:19]([C:20](=[O:21])[CH2:22][S:23][CH2:24][CH:25]([C:26]([O:27][CH2:28][c:29]3[cH:30][cH:31][c:32]([N+:33]([O-:34])=[O:35])[cH:36][cH:37]3)=[O:38])[NH:39][C:40]([O:41][CH2:42][c:43]3[cH:44][cH:45][c:46]([N+:47]([O-:48])=[O:49])[cH:50][cH:51]3)=[O:52])[CH2:53][CH2:54]2)=[O:55])=[O:56])[cH:57][cH:58]1)([O-:59])=[O:60].[NH2:62][CH:63]([CH2:64][SH:65])[C:66](=[O:67])[OH:68].[Na+:80].[OH-:79]>>[NH2:62][CH:63]([CH2:64][S:65][CH2:75][c:74]1[cH:73][cH:72][c:71]([O:70][CH3:69])[cH:78][cH:77]1)[C:66](=[O:67])[OH:68]

Participants

7

Sources & evidence

ORD record
ord-8dd35c87edf045d9b7bf3cd29fdb2bc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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