1-Bromo-3-chloropropane → 8-[4-(3-Chloro-propoxy)-phenyl]-5H,7H-6-oxa-1,4,8a-triaza-s-indacene

HRID 2338710Notes

Reaction equation

HRID 2338710 reaction equation
[Br:46][CH2:47][CH2:48][CH2:49][Cl:50].[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13]3[n:14][cH:15][cH:16][c:17]3[n:18][c:19]3[c:20]2[CH2:21][CH2:24][CH2:23][CH2:22][CH2:25]3)[cH:10][cH:11]1.[n:26]1[n:27]2[c:28]([n:29][c:30]3[c:31]([c:32]2-[c:33]2[cH:34][cH:35][c:36]([OH:45])[cH:37][cH:38]2)[CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:43][cH:44]1>>[Cl:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13]3[n:14][cH:15][cH:16][c:17]3[n:18][c:19]3[c:20]2[CH2:21][O:45][CH2:25]3)[cH:10][cH:11]1

Participants

4

Reactant 3

HCID 80061-Bromo-3-chloropropaneHCID 5858770610-[4-(3-chloro-propoxy)-phenyl]-6,7,8,9-tetrahydro-5H-1,4,10a-triaza-cyclohepta[f]indeneHCID 1363610224-(5,6,7,8-Tetrahydro-pyrazolo[5,1-b]quinazolin-9-yl)-phenol

Product 1

HCID 585877208-[4-(3-Chloro-propoxy)-phenyl]-5H,7H-6-oxa-1,4,8a-triaza-s-indacene

Sources & evidence

ORD record
ord-2f127e0468cb4a06bb19147cda883e7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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