Hydrochloric Acid → HCID 57597295, compound

HRID 302786Notes

Reaction equation

HRID 302786 reaction equation
[CH2:42]([N:43]=[C:44]=[N:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51])[CH3:52].[CH3:33][S:34](=[O:35])(=[O:36])[CH2:37][C:38](=[O:39])[OH:40].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH3:75][CH2:76][N:77]([CH2:78][CH3:79])[CH2:80][CH3:81].[ClH:41].[NH2:1][CH2:2][CH2:3][n:4]1[cH:5][cH:6][c:7]2[n:8][cH:9][n:10][c:11]([NH:13][c:14]3[cH:15][c:16]([CH3:32])[c:17]([O:20][c:21]4[cH:22][c:23]([O:27][C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26]4)[cH:18][cH:19]3)[c:12]12.[OH2:53].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([CH2:2][CH2:3][n:4]1[cH:5][cH:6][c:7]2[n:8][cH:9][n:10][c:11]([NH:13][c:14]3[cH:15][c:16]([CH3:32])[c:17]([O:20][c:21]4[cH:22][c:23]([O:27][C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26]4)[cH:18][cH:19]3)[c:12]12)[C:38]([CH2:37][S:34]([CH3:33])(=[O:35])=[O:36])=[O:39]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 37328412-Methanesulfonylacetic acidHCID 675204315-(2-aminoethyl)-N-{3-methyl-4-[3-(trifluoromethoxy)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine

Product 1

HCID 57597295HCID 57597295, compound

Sources & evidence

ORD record
ord-6a301f451e1347c4a74419902f650cee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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