Hydrochloric Acid → HCID 178465793, compound

HRID 104116Notes

Reaction equation

HRID 104116 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([cH:26][c:27]1[O:28][CH3:29])[C:8]([c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[Cl:23])[cH:24][cH:25]1)=[N:9][CH:10]1[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH:15]21.[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][C:58]#[N:59].[CH:31]([CH3:32])([CH3:33])[NH:34][CH:35]([CH2:36][O:37][C:38]([c:39]1[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]1)=[O:48])[CH3:49].[ClH:30]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]2[c:7]([cH:26][c:27]1[O:28][CH3:29])[C:8]([c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[N:34]([CH:31]([CH3:32])[CH3:33])[CH:35]([CH2:36][O:37][C:38]([c:39]3[cH:40][cH:41][c:42]([N+:45](=[O:46])[O-:47])[cH:43][cH:44]3)=[O:48])[CH3:49])[cH:24][cH:25]1)=[N:9][CH:10]1[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH:15]21

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 22335483HCID 22335483, compoundHCID 91475317HCID 91475317, compound

Product 1

HCID 178465793HCID 178465793, compound

Sources & evidence

ORD record
ord-e07d9a65fe1e41e88216b785d0f7ba21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…