Ammonia → HCID 57476406, compound

HRID 2344038Notes

Reaction equation

HRID 2344038 reaction equation
[CH2:31]([N:33]=[C:32]=[N:34][CH2:35][CH2:36][CH2:37][N:38]([CH3:39])[CH3:40])[CH3:41].[CH3:59][C:60]#[N:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:30].[F:1][c:2]1[c:3]([C:21]2=[N:25][CH2:24][CH:23]([CH2:26][C:27](=[O:28])[OH:29])[S:22]2)[nH:4][c:5]2[c:6]([N:11]([S:12](=[O:13])(=[O:14])[c:15]3[s:16][cH:17][cH:18][cH:19]3)[CH3:20])[cH:7][cH:8][cH:9][c:10]12.[NH3:53].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:42].[OH:43][n:44]1[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[F:1][c:2]1[c:3]([C:21]2=[N:25][CH2:24][CH:23]([CH2:26][C:27](=[O:29])[NH2:33])[S:22]2)[nH:4][c:5]2[c:6]([N:11]([S:12](=[O:13])(=[O:14])[c:15]3[s:16][cH:17][cH:18][cH:19]3)[CH3:20])[cH:7][cH:8][cH:9][c:10]12

Participants

10

Reactant 9

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 59135752(2-{3-fluoro-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

Product 1

HCID 57476406HCID 57476406, compound

Sources & evidence

ORD record
ord-a3739ef536e141dfa32bf1546fe2c493
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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