Hydrochloric Acid → HCID 178489633, compound

HRID 1574229Notes

Reaction equation

HRID 1574229 reaction equation
[CH3:1][O:2][c:3]1[c:4]([S:9](=[O:10])(=[O:11])[N:12]([c:13]2[cH:14][cH:15][cH:16][c:17]3[cH:18][c:19]([C:22]4=[N:26][CH2:25][CH:24]([CH2:27][C:28](=[O:29])[OH:30])[S:23]4)[nH:20][c:21]23)[CH3:31])[cH:5][cH:6][cH:7][cH:8]1.[CH3:49][N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH3:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:48].[NH2:32][c:33]1[n:34][n:35][n:36][nH:37]1.[n:38]1([OH:39])[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:1][O:2][c:3]1[c:4]([S:9](=[O:10])(=[O:11])[N:12]([c:13]2[cH:14][cH:15][cH:16][c:17]3[cH:18][c:19]([C:22]4=[N:26][CH2:25][CH:24]([CH2:27][C:28](=[O:30])[NH:32][c:33]5[n:34][n:35][n:36][nH:37]5)[S:23]4)[nH:20][c:21]23)[CH3:31])[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 59135901(2-{7-[[(2-methoxyphenyl)sulfonyl](methyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acidHCID 178509299HCID 178509299, compound

Product 1

HCID 178489633HCID 178489633, compound

Sources & evidence

ORD record
ord-e2b42f27e1684951aab6ba38b8fcdaf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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