Hydrochloric Acid → 5-(3,5-dichlorophenylthio)-4-isopropyl-2-methyl-1-[(4-pyridyl)methyl]-1H-pyrrole

HRID 90862Notes

Reaction equation

HRID 90862 reaction equation
[CH2:65]([N:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1)[CH3:72].[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH3:51][O:52][c:53]1[cH:54][c:55]([O:56][CH3:57])[cH:58][c:59]([O:60][CH3:61])[c:62]1[CH2:63][NH2:64].[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:26]([CH3:27])[CH3:28])[c:12]([C:23]([OH:24])=[O:25])[c:13]([CH3:22])[n:14]2[CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cl:73][CH2:74][Cl:75].[ClH:50].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:26]([CH3:27])[CH3:28])[cH:12][c:13]([CH3:22])[n:14]2[CH2:15][c:16]2[cH:17][cH:18][n:19][cH:20][cH:21]2)[cH:5][c:6]([Cl:8])[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 7525EthylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 688109(2,4,6-Trimethoxyphenyl)methanamineHCID 101378285-(3,5-Dichlorophenylthio)-2-methyl-4-isopropyl-1-[(4-pyridyl)methyl]-1H-pyrrole-3-carboxylic acid

Product 1

HCID 227183995-(3,5-dichlorophenylthio)-4-isopropyl-2-methyl-1-[(4-pyridyl)methyl]-1H-pyrrole

Sources & evidence

ORD record
ord-803f0d14abc44a90ba9d9da448c69b63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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