Hydrochloric Acid → N-(4-Aminothiophen-3-yl)-4-[1-(2-dimethylaminoethyl)-3-(indan-5-yl)ureidomethyl]benzamide

HRID 1541084Notes

Reaction equation

HRID 1541084 reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1)[NH:15][C:16](=[O:17])[NH:18][c:19]1[cH:20][c:21]2[c:25]([cH:26][cH:27]1)[CH2:24][CH2:23][CH2:22]2)[CH3:28].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[ClH:29].[ClH:30].[NH2:31][c:32]1[cH:33][s:34][cH:35][c:36]1[NH2:37].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[NH:31][c:32]2[cH:33][s:34][cH:35][c:36]2[NH2:37])[cH:13][cH:14]1)[NH:15][C:16](=[O:17])[NH:18][c:19]1[cH:20][c:21]2[c:25]([cH:26][cH:27]1)[CH2:24][CH2:23][CH2:22]2)[CH3:28]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 643216Thiophene-3,4-diamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 670498974-[1-(2-Dimethylaminoethyl)-3-(indan-5-yl)ureidomethyl]benzoic acid

Product 1

HCID 67049894N-(4-Aminothiophen-3-yl)-4-[1-(2-dimethylaminoethyl)-3-(indan-5-yl)ureidomethyl]benzamide

Sources & evidence

ORD record
ord-c70cb427818347a5b6e59bf185b080b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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