Indole-3-Acetic Acid → HCID 20222903, compound

HRID 1566209Notes

Reaction equation

HRID 1566209 reaction equation
[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[Cl:22][c:23]1[cH:24][cH:25][cH:26][cH:27][n+:28]1[CH3:29].[Cl:57][CH2:58][Cl:59].[I-:21].[NH2:30][CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][CH:36]([NH:39][c:40]2[n:41][c:42]3[c:43]([n:44]2[CH2:45][c:46]2[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]2)[cH:53][cH:54][cH:55][cH:56]3)[CH2:37][CH2:38]1.[nH:1]1[cH:2][c:3]([CH2:10][C:11](=[O:12])[OH:13])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([CH2:10][C:11](=[O:13])[NH:30][CH2:31][CH2:32][N:33]2[CH2:34][CH2:35][CH:36]([NH:39][c:40]3[n:41][c:42]4[c:43]([n:44]3[CH2:45][c:46]3[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]3)[cH:53][cH:54][cH:55][cH:56]4)[CH2:37][CH2:38]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12

Participants

7

Reactant 6

HCID 802Indole-3-Acetic AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 30165Iodide IonHCID 1670702-Chloro-1-methylpyridiniumHCID 12891741N-[1-(2-aminoethyl)-4-piperidinyl]-1-(4-fluorophenylmethyl)-1H-benzimidazol-2-amine

Product 1

HCID 20222903HCID 20222903, compound

Sources & evidence

ORD record
ord-ea9473ad68794bd2b987e5b70d0ab165
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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