Hydrochloric Acid → tert-butyl 4-(benzylthio)-4-{[({7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}carbonyl)amino]methyl}piperidine-1-carboxylate

HRID 2335574Notes

Reaction equation

HRID 2335574 reaction equation
[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[OH:14])[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1.[CH3:57][N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][N:63]=[C:64]=[N:65][CH2:66][CH3:67].[ClH:56].[NH2:23][CH2:24][C:25]1([S:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]1.[Na+:68].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH:69][C:70](=[O:71])[O-:72].[n:46]1([OH:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12](=[O:13])[NH:23][CH2:24][C:25]3([S:38][CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]3)[nH:10][c:11]12)[S:15](=[O:16])(=[O:17])[c:18]1[s:19][cH:20][cH:21][cH:22]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 574759517-[methyl(2-thienylsulfonyl)amino]-1H-indole-2-carboxylic acidHCID 57475999Tert-butyl 4-(aminomethyl)-4-benzylsulfanylpiperidine-1-carboxylate

Product 1

HCID 59135656tert-butyl 4-(benzylthio)-4-{[({7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}carbonyl)amino]methyl}piperidine-1-carboxylate

Sources & evidence

ORD record
ord-cb6ecccd02404543a23f4cfeef006ec8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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