Hydrochloric Acid → HCID 135830840, compound

HRID 2327593Notes

Reaction equation

HRID 2327593 reaction equation
[CH3:46][C:47]#[N:48].[ClH:45].[OH:1][c:2]1[c:3]([O:11][c:12]2[n:13][c:14]([O:32][c:33]3[cH:34][c:35]([C:39]4=[N:43][CH2:42][CH2:41][N:40]4[CH3:44])[cH:36][cH:37][cH:38]3)[c:15]([F:31])[c:16]([N:19]([C:20]3([C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:21][CH2:22][CH2:23][CH2:24]3)[CH3:30])[c:17]2[F:18])[cH:4][c:5]([C:6](=[NH:7])[NH2:8])[cH:9][cH:10]1.[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55]>>[OH:1][c:2]1[c:3]([O:11][c:12]2[n:13][c:14]([O:32][c:33]3[cH:34][c:35]([C:39]4=[N:43][CH2:42][CH2:41][N:40]4[CH3:44])[cH:36][cH:37][cH:38]3)[c:15]([F:31])[c:16]([N:19]([C:20]3([C:25](=[O:26])[OH:27])[CH2:21][CH2:22][CH2:23][CH2:24]3)[CH3:30])[c:17]2[F:18])[cH:4][c:5]([C:6](=[NH:7])[NH2:8])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 135462952HCID 135462952, compound

Product 1

HCID 135830840HCID 135830840, compound

Sources & evidence

ORD record
ord-d0d9246d9c234281a6781057a000e141
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…