Acetate → 1-(4-phenylamino-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea

HRID 2340574Notes

Reaction equation

HRID 2340574 reaction equation
[C:47]([O-:48])(=[O:49])[CH3:50].[C:52]([O-:53])(=[O:54])[CH3:55].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:44][CH2:45][Cl:46].[Cu+2:51].[NH2:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]3[cH:15][n:16][n:17]([CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27]4)[c:18]3[cH:19][cH:20]2)[cH:6][cH:7]1.[OH:28][B:29]([OH:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]3[cH:15][n:16][n:17]([CH2:21][CH2:22][N:23]4[CH2:24][CH2:25][CH2:26][CH2:27]4)[c:18]3[cH:19][cH:20]2)[cH:6][cH:7]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 27099Cupric cationHCID 66827Phenylboronic AcidHCID 220365711-(4-amino-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea

Product 1

HCID 112936011-(4-phenylamino-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea

Sources & evidence

ORD record
ord-08a9aa246b1a4cfc8796ff2bbdb4ae6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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