Hydrochloric Acid → HCID 178491685, compound

HRID 664815Notes

Reaction equation

HRID 664815 reaction equation
[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][S:18][CH:19]2[CH2:20][CH:21]([C:37](=[O:38])[NH:39][CH:40]3[CH2:41][NH:42][CH2:43][CH2:44]3)[N:22]([C:24](=[O:25])[O:26][CH2:27][c:28]3[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]3)[CH2:23]2)[cH:45][cH:46]1.[CH3:61][N:62]([CH3:63])[c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1.[CH3:70][C:71]#[N:72].[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:47][C:48](=[O:49])[O:50][CH2:51][c:52]1[cH:53][cH:54][c:55]([N+:58](=[O:59])[O-:60])[cH:56][cH:57]1.[ClH:10]>>[CH3:11][O:12][c:13]1[cH:14][cH:15][c:16]([CH2:17][S:18][CH:19]2[CH2:20][CH:21]([C:37](=[O:38])[NH:39][CH:40]3[CH2:41][N:42]([C:48](=[O:49])[O:50][CH2:51][c:52]4[cH:53][cH:54][c:55]([N+:58](=[O:59])[O-:60])[cH:56][cH:57]4)[CH2:43][CH2:44]3)[N:22]([C:24](=[O:25])[O:26][CH2:27][c:28]3[cH:29][cH:30][c:31]([N+:34](=[O:35])[O-:36])[cH:32][cH:33]3)[CH2:23]2)[cH:45][cH:46]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 142844-(Dimethylamino)pyridineHCID 782054-Nitrobenzyl chloroformateHCID 81531DiisopropylethylamineHCID 178491684HCID 178491684, compound

Product 1

HCID 178491685HCID 178491685, compound

Sources & evidence

ORD record
ord-ce5ca667281544bfb2013bb1a2db18db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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