Dichloromethane → HCID 57813347, compound

HRID 672708Notes

Reaction equation

HRID 672708 reaction equation
[Br:58][c:59]1[cH:60][c:61]([CH2:62][NH2:63])[cH:64][c:65]([Cl:67])[cH:66]1.[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:32][CH3:33])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30][cH:31]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[Cl:68][CH2:69][Cl:70].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:32][CH3:33])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[NH:63][CH2:62][c:61]3[cH:60][c:59]([Br:58])[cH:66][c:65]([Cl:67])[cH:64]3)[cH:29][cH:30][cH:31]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 578132773-[({[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]benzoic AcidHCID 58962965(3-Bromo-5-chlorophenyl)methanamine

Product 1

HCID 57813347HCID 57813347, compound

Sources & evidence

ORD record
ord-6dba0ebbb16643fbacc0f81e90ad1534
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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