Hydrochloric Acid → HCID 12002205, compound

HRID 684392Notes

Reaction equation

HRID 684392 reaction equation
[CH3:48][CH2:49][OH:50].[ClH:47].[F:1][c:2]1[c:3]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:4][cH:5][c:6]([NH:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([c:18]3[s:19][cH:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[n:22]3)[CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:14][cH:15]2)[cH:7]1.[Na+:46].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH-:45]>>[F:1][c:2]1[c:3]([CH2:38][CH2:39][C:40](=[O:41])[OH:42])[cH:4][cH:5][c:6]([NH:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][N:17]([c:18]3[s:19][cH:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[n:22]3)[CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37])[cH:14][cH:15]2)[cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 23157354HCID 23157354, compound

Product 1

HCID 12002205HCID 12002205, compound

Sources & evidence

ORD record
ord-91179e7d59854b12ab4c092d9c4203c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…