Acetate → HCID 178427321, compound

HRID 1541144Notes

Reaction equation

HRID 1541144 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([B:9]([OH:10])[OH:11])[cH:6][cH:7][cH:8]1.[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH3:12][CH:13]1[CH2:14][CH:15]([NH2:40])[CH2:16][CH:17]1[c:18]1[n:19][n:20][c:21]2[n:22]1[c:23]1[c:24]([n:25][cH:26]2)[n:27]([S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]2)[cH:28][cH:29]1.[CH3:53][C:54]#[N:55].[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl:50][CH2:51][Cl:52].[Cu+2:61].[OH2:56]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([NH:40][CH:15]2[CH2:14][CH:13]([CH3:12])[CH:17]([c:18]3[n:19][n:20][c:21]4[n:22]3[c:23]3[c:24]([n:25][cH:26]4)[n:27]([S:30](=[O:31])(=[O:32])[c:33]4[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]4)[cH:28][cH:29]3)[CH2:16]2)[cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 27099Cupric cationHCID 81531DiisopropylethylamineHCID 27343253-Cyanophenylboronic acidHCID 76828912HCID 76828912, compound

Product 1

HCID 178427321HCID 178427321, compound

Sources & evidence

ORD record
ord-82b0c53d4d2841e182da790a98751619
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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